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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.32 |
| ▸ | NAMPT | P43490 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL1278612 | 1.00 | HDAC1 (0.33) | HDAC1ALDH1A1TSHRSLC22A12TBXAS1 | |
| SCHEMBL1580769 | 0.93 | EPHX2 (0.34) | ALDH1A1TSHRSLC22A12NAMPTMEN1 | |
| Fumaric Acid SCHEMBL1278588 | 0.89 | ALDH1A1 (0.37) | HDAC1ALDH1A1TSHRSLC22A12NAMPT | |
| Fumaric Acid SCHEMBL1278298 | 0.89 | CYP2E1 (0.37) | HDAC1ALDH1A1TSHRTBXAS1NAMPT | |
| Fumaric Acid SCHEMBL1278585 | 0.89 | ALDH1A1 (0.37) | HDAC1ALDH1A1TSHRSLC22A12NAMPT | |
| Fumaric Acid SCHEMBL1278302 | 0.89 | CYP2E1 (0.37) | HDAC1ALDH1A1TSHRTBXAS1NAMPT | |
| Fumaric Acid SCHEMBL1278413 | 0.86 | NAMPT (0.33) | HDAC1ALDH1A1TSHRSLC22A12NAMPT | |
| Fumaric Acid SCHEMBL1278410 | 0.86 | NAMPT (0.33) | HDAC1ALDH1A1TSHRSLC22A12NAMPT | |
| SCHEMBL3905674 | 0.85 | NAMPT (0.35) | ALDH1A1TSHRNAMPTKDM4E | |
| Fumaric Acid SCHEMBL2417468 | 0.85 | HDAC1 (0.34) | HDAC1ALDH1A1TSHRTBXAS1NAMPT |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2327692-B9 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-8436187-B2 | 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |
| US-8415368-B2 | Acid secretion inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-04-09 | — | — | US | disclosed |
| US-8338461-B2 | 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-25 | — | — | US | disclosed |
| US-8338462-B2 | 1-heterocyclylsulfonyl, 3-aminomethyl, 5- (hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) | 2012-12-25 | — | — | US | disclosed |
| US-8299261-B2 | 1-heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-10-30 | — | — | US | disclosed |
| EP-2327692-B1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2012-07-18 | — | — | EP | disclosed |
| US-20120088797-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-12 | — | — | US | disclosed |
| US-20110301174-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-08 | — | — | US | disclosed |
| US-20110301173-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-08 | — | — | US | disclosed |
| US-7977488-B2 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-) aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-12 | — | — | US | disclosed |
| US-20110144161-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-06-16 | — | — | US | disclosed |
| EP-2327692-A1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2011-06-01 | — | — | 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 |
| 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 |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090143444-A1 | ACID SECRETION INHIBITOR | HRH2, VIP, CCKBR | MEN1 751/4885KMT2A 4499/4885HDAC1 211/4885 |
| US-20110301174-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | CMA1, GIPR, CTRL | MEN1 1841/4885KMT2A 3927/4885HDAC1 43/4885 |
| 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 4151/4885HDAC1 46/4885 |
| 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 2631/4885HDAC1 63/4885 |
| US-20120088797-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | CMA1, GIPR, CTRL | MEN1 1841/4885KMT2A 3927/4885HDAC1 43/4885 |
| US-20110301173-A1 | 1-HETEROCYCLYLSULFONYL, 3-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | GHSR, HRH2, ASNS | MEN1 1443/4885KMT2A 4268/4885HDAC1 50/4885 |
| US-20110144161-A1 | 1-HETEROCYCLYLSULFONYL, 2-AMINOMETHYL, 5- (HETERO-) ARYL SUBSTITUTED 1-H-PYRROLE DERIVATIVES AS ACID SECRETION INHIBITORS | HRH2, GHSR, ASNS | MEN1 1494/4885KMT2A 4165/4885HDAC1 51/4885 |
“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.