SCHEMBL2040708

SCHEMBL2040708

COc1ccc(-c2ccc(C(=O)O)cc2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA4 P22748 1/20 0.72
CA6 P23280 1/20 0.72
CA7 P43166 1/20 0.72
TPMT P51580 1/20 0.72
CA9 Q16790 1/20 0.72
CA14 Q9ULX7 1/20 0.72
PDE4A P27815 8/20 0.68
PDE4B Q07343 8/20 0.68
PDE4C Q08493 8/20 0.68
PDE4D Q08499 8/20 0.68
RXRA P19793 1/20 0.61
ERN1 O75460 1/20 0.59
TSHR P16473 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL978266 0.86 RARB (0.72) CA12CA1CA2CA4CA6
SCHEMBL8960746 0.86 PDE4A (0.57) CA12CA1CA2CA4CA6
SCHEMBL5851380 0.86 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL27976009 0.84 CYP1A2 (0.62) CA12CA1CA2CA4CA6
SCHEMBL5582160 0.84 LMNA (0.60) CA12CA1CA2CA4CA6
SCHEMBL5151529 0.84 PDE4A (0.71) CA12CA1CA2CA4CA6
SCHEMBL8662611 0.84 ALDH1A1 (0.67) CA12CA1CA2CA4CA6
SCHEMBL6244003 0.84 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL30595083 0.84 LMNA (0.75) CA12CA1CA2CA4CA6
SCHEMBL3643490 0.84 LMNA (0.75) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US claimed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
US-6136969-A PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER HOFFMANN-LA ROCHE INC. (US) 2000-10-24 US claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP claimed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO claimed
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
CN-113045494-B Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2022-04-26 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
CN-113045494-A Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis 四川大学华西医院 2021-06-29 CN disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
US-6136969-A PROTEIN KINASE INHIBITORS; 4-HYDROXYBENZOIC ACID 3-(4-(4-FLUOROBENZOYLOXY)-BENZOYLAMINO)-AZEPAN-4-YL ESTER HOFFMANN-LA ROCHE INC. (US) 2000-10-24 US disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
US-5907038-A PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1999-05-25 US disclosed
EP-0836592-A1 AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1998-04-22 EP disclosed
WO-1997002249-A1 NOVEL AZEPANES AND THEIR RING HOMOLOGUES FOR THERAPY AND PROPHYLAXIS OF PROTEIN KINASE MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 1997-01-23 WO disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA12 4883/4885CA1 4881/4885CA2 4174/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA12 4883/4885CA1 4881/4885CA2 4174/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA12 4883/4885CA1 4881/4885CA2 4174/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 CA12 1304/4885CA1 1035/4885CA2 1785/4885

“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.