Fumaric Acid

Fumaric Acid

SCHEMBL2797261

C[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(O)cc(O)c1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 20/20 0.83
ADRB1 known ✓ P08588 1/20 0.68
SLC6A2 known ✓ P23975 1/20 0.68
HTR2A known ✓ P28223 1/20 0.68
SLC6A4 known ✓ P31645 1/20 0.68
CYP3A4 P08684 3/20 0.68
MAPK1 P28482 3/20 0.68
NPSR1 Q6W5P4 2/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
HIF1A Q16665 1/20 0.68
HSD17B10 Q99714 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ADRB3 P13945 1/20 0.68
PTGS1 P23219 1/20 0.68
MC4R P32245 1/20 0.68
ADRA1A P35348 1/20 0.68
OPRM1 P35372 1/20 0.68
MC3R P41968 1/20 0.68
SLC6A3 Q01959 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fumaric Acid SCHEMBL2793570 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793580 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797727 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797265 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793781 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793567 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793776 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2793586 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
Fumaric Acid SCHEMBL2797720 1.00 ADRB2 (0.83) ADRB2CYP3A4MAPK1NPSR1CYP2D6
SCHEMBL7150211 0.91 ADRB2 (1.00) ADRB2CYP3A4MAPK1NPSR1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-04-14 US disclosed
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-02-18 US disclosed
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2019-08-15 US disclosed
US-10308591-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-06-04 US disclosed
US-20190008802-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS The USA, as represented by the Secretary, Departme nt of Health and Human Services (US) 2019-01-10 US disclosed
US-10130594-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-20 US disclosed
EP-2544676-B1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS US HEALTH (US) 2018-09-19 EP disclosed
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2018-05-24 US disclosed
US-9908841-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-03-06 US disclosed
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-03-23 US disclosed
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-12 US disclosed
US-9522871-B2 Preparation of (R,R)-fenoterol and (R,R)-or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-12-20 US disclosed
US-9492405-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-15 US disclosed
EP-2064174-B1 PREPARATION OF (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE US GOV HEALTH & HUMAN SERV (US) 2016-10-26 EP disclosed
US-20160009636-A9 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-01-14 US disclosed
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-07-03 US disclosed
US-8703826-B2 Preparation of (R,R)-fenoterol and (R,R)-or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2014-04-22 US disclosed
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS SRI INTERNATIONAL 2013-01-03 US disclosed
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE Services, National Institutes of Health 2012-06-21 US disclosed
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180141894-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-10617654-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885SLC6A2 290/4885
US-20160009636-A9 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-10562843-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885SLC6A2 298/4885
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-10308591-B2 Preparation of (R,R)-fenoterol and (R,R)- or (R,S)-fenoterol analogues and their use in treating congestive heart failure ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1782/4885
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-20190248732-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885SLC6A2 1743/4885
US-20190008802-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885SLC6A2 290/4885
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885SLC6A2 290/4885
US-10130594-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885SLC6A2 301/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.