Fumaric Acid

Fumaric Acid

SCHEMBL619903

CCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@]2(OC(=O)CC)C(=O)SCF)[C@@H]2C[C@H](F)C3=CC(=O)C=C[C@]3(C)[C@@]12F.O=C(O)/C=C/C(=O)O

nearest known ligand 0.77

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
MEN1 known ✓ O00255 1/20 0.52
KMT2A known ✓ Q03164 1/20 0.52
MLNR known ✓ O43193 1/20 0.46
DRD2 known ✓ P14416 1/20 0.45
NR3C1 P04150 14/20 0.77
PGR P06401 6/20 0.77
CYP3A4 P08684 6/20 0.77
AR P10275 4/20 0.77
ADORA3 P0DMS8 3/20 0.77
NR1I2 O75469 3/20 0.77
NR3C2 P08235 2/20 0.77
CHRM1 P11229 1/20 0.59
ADRA1A P35348 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
ALOX15 P16050 1/20 0.52
HIF1A Q16665 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL11903930 0.97 NR3C1 (0.76) NR3C1PGRCYP3A4ARADORA3
SCHEMBL3365954 0.97 NR3C1 (0.76) NR3C1PGRCYP3A4ARADORA3
SCHEMBL4284 0.96 NR3C1 (0.83) NR3C1PGRCYP3A4ARADORA3
Alcohol SCHEMBL9363106 0.94 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
Acetone SCHEMBL14645259 0.94 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
Fluticasone Propionate SCHEMBL1692230 0.92 NR3C1 (0.90) NR3C1PGRCYP3A4ARADORA3
Fluticasone Propionate SCHEMBL3369738 0.92 NR3C1 (0.86) NR3C1PGRCYP3A4ARADORA3
SCHEMBL16474135 0.92 NR3C1 (0.81) NR3C1PGRCYP3A4ARADORA3
Norflurane SCHEMBL9366922 0.91 NR3C1 (0.76) NR3C1PGRCYP3A4ARADORA3
SCHEMBL2100405 0.91 NR3C1 (0.78) NR3C1PGRCYP3A4ARADORA3

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154980-B1 TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES CHIESI FARM SPA (IT) 2021-08-04 EP disclosed
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed
EP-3390405-B1 NOVEL TETRAHYDROTRIAZOLOPYRIMIDINE DERIVATIVES AS NHE INHIBITORS CHIESI FARM SPA (IT) 2020-07-15 EP disclosed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP disclosed
EP-3464269-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A HNE RELATED DISEASE CHIESI FARM SPA (IT) 2020-04-01 EP disclosed
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP disclosed
EP-3464268-A1 NOVEL COMPOUNDS Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
EP-3464273-A1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
EP-3464269-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF A DISEASE IN WHICH HNE IS IMPLICATED Chiesi Farmaceutici S.p.A. (IT) 2019-04-10 EP disclosed
EP-3233833-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
US-20120041043-A1 Sulfonamide Compounds for the Treatment of Respiratory Disorders PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2012-02-16 US disclosed
EP-2379507-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISORDERS Pulmagen Therapeutics (Inflammation) Limited (GB) 2011-10-26 EP disclosed
CN-102170864-A Treatment of Respiratory Diseases ARGENTA DISCOVERY LTD 2011-08-31 CN disclosed
WO-2011098799-A2 RESPIRATORY DISEASE TREATMENT PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-08-18 WO disclosed
WO-2011098801-A1 INFLAMMATORY DISEASE TREATMENT PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-08-18 WO disclosed
WO-2011098746-A1 CRYSTALLINE ACID ADDITION SALTS OF ( 5R) -ENANTI0MER OF PIOGLITAZONE PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-08-18 WO disclosed
US-20110053986-A1 RESPIRATORY DISEASE TREATMENT PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-03-03 US disclosed
WO-2010150014-A1 5R- 5 -DEUTERATED GLITAZONES FOR RESPIRATORY DISEASE TREATMENT PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2010-12-29 WO disclosed
WO-2010076553-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISORDERS DR. REDDY'S LABORATORIES LTD (IN) 2010-07-08 WO disclosed
WO-2009019598-A2 INHALATION THERAPY FOR RESPIRATORY DISORDERS DR. REDDY'S LABORATORIES LTD. (US) 2009-02-12 WO 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 (2 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-20120041043-A1 Sulfonamide Compounds for the Treatment of Respiratory Disorders PPARD, PPARA, PPARG MEN1 4777/4885KMT2A 2750/4885MLNR 693/4885
US-20110053986-A1 RESPIRATORY DISEASE TREATMENT IL5, PPARD, PPARG MEN1 4424/4885KMT2A 1955/4885MLNR 1262/4885

“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.