Fumaric Acid

Fumaric Acid

SCHEMBL3090551

CN(CC(CCN1CCC(c2ccccc2[S+](C)[O-])CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.73

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 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.73
TACR1 P25103 4/20 0.73
TACR3 P29371 4/20 0.73

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 SCHEMBL3090554 1.00 TACR2 (0.73) TACR2TACR1TACR3
Fumaric Acid SCHEMBL3090552 1.00 TACR2 (0.73) TACR2TACR1TACR3
SCHEMBL7673763 0.96 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL29374317 0.96 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7673768 0.96 TACR2 (0.79) TACR2TACR1TACR3
SCHEMBL7673760 0.96 TACR2 (0.79) TACR2TACR1TACR3
Citric Acid SCHEMBL7666355 0.91 TACR2 (0.69) TACR2TACR1TACR3
Citric Acid SCHEMBL7674178 0.91 TACR2 (0.69) TACR2TACR1TACR3
Citric Acid SCHEMBL7666351 0.91 TACR2 (0.69) TACR2TACR1TACR3
Citric Acid SCHEMBL7667751 0.91 TACR2 (0.69) TACR2TACR1TACR3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 US claimed
EP-1809267-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE Laboratori Guidotti S.P.A. (IT) 2007-07-25 EP claimed
WO-2006045820-A1 PHARMACEUTICAL COMPOSITIONS BASED ON NK2 ANTAGONISTS FOR PEDIATRIC USE LABORATORI GUIDOTTI S.P.A. (IT) 2006-05-04 WO claimed
US-9556200-B2 Tricyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-31 US disclosed
EP-2824106-B1 TRICYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-20150045351-A1 TRICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2824106-A1 TRICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-01-14 EP disclosed
US-20100234284-A1 Pharmaceutical compositions based on NK2 antagonists for pediatric use ALEOTTI ALBERTO 2010-09-16 US disclosed
US-7727955-B2 Pharmaceutical compositions based on NK2 antagonists for pediatric use LABORATORI GUIDOTTI S.P.A. (IT) 2010-06-01 US disclosed
US-20080090795-A1 Pharmaceutical Compositions Based on Nk2 Antagonists for Pediatric Use LABORATORI GUIDOTTI S.P.A. (IT) 2008-04-17 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 (1 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-20150045351-A1 TRICYCLIC COMPOUND HTR2C, HTR1A, HTR2A TACR2 68/4885TACR1 47/4885TACR3 287/4885

“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.