Fumaric Acid

Fumaric Acid

SCHEMBL1357693

CNCc1cn(S(=O)(=O)c2cccs2)c(-c2ccccc2)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 3/20 0.35
MEN1 known ✓ O00255 1/20 0.35
RAB9A P51151 3/20 0.39
HTT P42858 3/20 0.37
PKM P14618 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 2/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.35
PTGER3 P43115 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35

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 SCHEMBL1357695 1.00 RAB9A (0.39) RAB9AHTTPKMLMNAMAPT
SCHEMBL9611280 0.94 RAB9A (0.42) RAB9AHTTPKMLMNAMAPT
Fumaric Acid SCHEMBL3703504 0.88 RAB9A (0.36) RAB9AHTTPKMLMNAMAPT
Fumaric Acid SCHEMBL3703509 0.88 RAB9A (0.36) RAB9AHTTPKMLMNAMAPT
Fumaric Acid SCHEMBL1357275 0.83 HDAC1 (0.38) HTTLMNASMN1; SMN2TSHR
Fumaric Acid SCHEMBL1355977 0.80 SMN1; SMN2 (0.36) HTTPKMLMNAMAPTSMN1; SMN2
Fumaric Acid SCHEMBL1355982 0.80 SMN1; SMN2 (0.36) HTTPKMLMNAMAPTSMN1; SMN2
SCHEMBL13801543 0.80 RAB9A (0.40) RAB9AHTTPKMLMNAMAPT
SCHEMBL13999993 0.79 HTT (0.43) RAB9AHTTPKMLMNAMAPT
Fumaric Acid SCHEMBL1357682 0.79 ALDH1A1 (0.38) RAB9AMAPTALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2005957-B1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-05-30 EP disclosed
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 US disclosed
US-7994205-B2 Aryl-or heteroaryl-sulfonyl compounds as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-09 US disclosed
US-20090118335-A1 Acid Secretion Inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 US disclosed
EP-2005957-A1 ACID SECRETION INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2008-12-24 EP 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-20090118335-A1 Acid Secretion Inhibitor ATP6AP1, HRH2, ATP6V1G1 KMT2A 4237/4885MEN1 3515/4885RAB9A 740/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 KMT2A 3735/4885MEN1 4122/4885RAB9A 1149/4885

“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.