Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 16/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2043935 | 0.94 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL2050747 | 0.94 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL2280873 | 0.92 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Fumaric Acid SCHEMBL2282789 | 0.91 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL6871291 | 0.89 | TPSAB1 (0.49) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL1275882 | 0.89 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL1274752 | 0.88 | TPSAB1 (0.48) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL9110215 | 0.88 | TPSAB1 (0.51) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E | |
| SCHEMBL1275311 | 0.88 | TPSAB1 (0.43) | TPSAB1KCNH2CYP2C9CYP2C19 | |
| SCHEMBL2278797 | 0.87 | TPSAB1 (0.47) | TPSAB1KCNH2CYP2C9CYP2C19KDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2367812-B1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI SA (FR) | 2015-09-16 | — | — | EP | disclosed |
| US-8497379-B2 | Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride | SANOFI (FR) | 2013-07-30 | — | — | US | disclosed |
| EP-2538942-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | SANOFI (FR) | 2013-01-02 | — | — | EP | disclosed |
| US-20120309790-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | SANOFI (FR) | 2012-12-06 | — | — | US | disclosed |
| US-20120283445-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI (FR) | 2012-11-08 | — | — | US | disclosed |
| EP-2515851-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SANOFI (FR) | 2012-10-31 | — | — | EP | disclosed |
| US-20120238603-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SANOFI (FR) | 2012-09-20 | — | — | US | disclosed |
| US-8217178-B2 | [4-(5-aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-[7-flouro-1-(2-methoxy-ethyl)-4-trifluorom as an inhibitor of mast cell tryptase | SANOFI (FR) | 2012-07-10 | — | — | US | disclosed |
| US-20110201647-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI-AVENTIS (FR) | 2011-08-18 | — | — | US | disclosed |
| WO-2010022196-A2 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | SANOFI-AVENTIS (FR) | 2010-02-25 | — | — | 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 (4 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-20110201647-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | CMA1, TPSAB1, TPSB2 | TPSAB1 2/4885KCNH2 556/4885CYP2C9 274/4885 |
| US-20120283445-A1 | [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE | CMA1, TPSAB1, TPSB2 | TPSAB1 2/4885KCNH2 556/4885CYP2C9 274/4885 |
| US-20120309790-A1 | TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS | TSLP, CMA1, TPSG1 | TPSAB1 7/4885KCNH2 1450/4885CYP2C9 1490/4885 |
| US-20120238603-A1 | TREATMENT FOR INFLAMMATORY BOWEL DISEASE | SLC10A2, SI, IL17A | TPSAB1 376/4885KCNH2 1229/4885CYP2C9 288/4885 |
“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.