Fumaric Acid

Fumaric Acid

SCHEMBL194497

CNCc1cc(-c2ccccc2C)n(S(=O)(=O)c2cccnc2)c1.O=C(O)C=CC(=O)O

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 0.34
KMT2A known ✓ Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.37
NAMPT P43490 4/20 0.36
HDAC1 Q13547 1/20 0.35
KDM6B O15054 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
FTO Q9C0B1 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 SCHEMBL194496 1.00 ALDH1A1 (0.37) ALDH1A1NAMPTHDAC1KDM6BALKBH2
Fumaric Acid SCHEMBL29536757 1.00 ALDH1A1 (0.37) ALDH1A1NAMPTHDAC1KDM6BALKBH2
Fumaric Acid SCHEMBL1278086 0.94 HDAC1 (0.36) ALDH1A1NAMPTHDAC1KDM6BALKBH2
Fumaric Acid SCHEMBL1278082 0.94 HDAC1 (0.36) ALDH1A1NAMPTHDAC1KDM6BALKBH2
SCHEMBL194035 0.92 ALDH1A1 (0.39) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL29754033 0.92 ALDH1A1 (0.39) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1156606 0.92 ALDH1A1 (0.38) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
Fumaric Acid SCHEMBL1278829 0.91 HDAC1 (0.35) ALDH1A1NAMPTHDAC1TSHRMEN1
Fumaric Acid SCHEMBL1278827 0.91 HDAC1 (0.35) ALDH1A1NAMPTHDAC1TSHRMEN1
Vonoprazan SCHEMBL31647237 0.90 CHRNB2 (0.39) ALDH1A1NAMPTHDAC1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 US disclosed
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
US-11498898-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-11-15 US disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
EP-2866788-B1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICALS CO (JP) 2020-12-16 EP disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
EP-2309985-A2 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2011-04-20 EP disclosed
EP-1919865-B1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2011-04-06 EP disclosed
WO-2010013823-A2 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-04 WO disclosed
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-11-05 US disclosed
US-20090143444-A1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-04 US disclosed
US-7498337-B2 Acid secretion inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-03 US disclosed
EP-1919865-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
WO-2007026916-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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 (11 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-20090143444-A1 ACID SECRETION INHIBITOR HRH2, VIP, CCKBR MEN1 751/4885KMT2A 4499/4885ALDH1A1 2004/4885
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD MEN1 1795/4885KMT2A 2285/4885ALDH1A1 1184/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD MEN1 1795/4885KMT2A 2285/4885ALDH1A1 1184/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 MEN1 2508/4885KMT2A 1862/4885ALDH1A1 1146/4885
US-12351553-B2 Process for producing 5-aryl-1H-pyrolle-3-carbonitrile compounds by dehalogenation CYP51A1, PAH, HPD MEN1 733/4885KMT2A 4271/4885ALDH1A1 1045/4885
US-20090275591-A1 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITOR HRH2, ASNS, GHSR MEN1 1421/4885KMT2A 4151/4885ALDH1A1 1773/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 MEN1 86/4885KMT2A 2631/4885ALDH1A1 1043/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD MEN1 1795/4885KMT2A 2285/4885ALDH1A1 1184/4885
US-11498898-B2 Process for producing pyrrole compound DHPS, STS, HPD MEN1 1795/4885KMT2A 2285/4885ALDH1A1 1184/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD MEN1 1795/4885KMT2A 2285/4885ALDH1A1 1184/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI MEN1 600/4885KMT2A 1070/4885ALDH1A1 795/4885

“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.