Fumaric Acid

Fumaric Acid

SCHEMBL1357682

CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2ccccc2)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.38

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 1/20 0.36
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.36
NAMPT P43490 2/20 0.36
HDAC1 Q13547 1/20 0.36
PTGER2 P43116 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
HTR6 P50406 1/20 0.36
CYP3A4 P08684 1/20 0.35
F2 P00734 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 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 SCHEMBL1357683 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ENAMPTHDAC1
SCHEMBL12136107 0.94 MAPT (0.41) ALDH1A1MAPTKDM4ENAMPTPTGER2
Fumaric Acid SCHEMBL1357678 0.82 HTR6 (0.42) ALDH1A1HDAC1HTR6KLKB1
Fumaric Acid SCHEMBL1357673 0.82 HTR6 (0.42) ALDH1A1HDAC1HTR6KLKB1
Fumaric Acid SCHEMBL1278294 0.81 EPHX2 (0.40) ALDH1A1KDM4ENAMPTHDAC1TSHR
Fumaric Acid SCHEMBL1278291 0.81 EPHX2 (0.40) ALDH1A1KDM4ENAMPTHDAC1TSHR
Fumaric Acid SCHEMBL1355977 0.80 SMN1; SMN2 (0.36) ALDH1A1MAPTHDAC1TSHRKMT2A
Fumaric Acid SCHEMBL1355982 0.80 SMN1; SMN2 (0.36) ALDH1A1MAPTHDAC1TSHRKMT2A
SCHEMBL9611276 0.80 HTR6 (0.38) ALDH1A1MAPTKDM4EHTR6
Fumaric Acid SCHEMBL1357695 0.79 RAB9A (0.39) ALDH1A1MAPTTSHRKMT2APOLB

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 4237/4885ALDH1A1 1627/4885MAPT 4675/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 KMT2A 3735/4885ALDH1A1 1926/4885MAPT 4829/4885

“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.