SCHEMBL2370631

SCHEMBL2370631

COc1ccc([C@@H](C)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.71
AKR1C3 P42330 6/20 0.71
PTGS1 P23219 6/20 0.71
AKR1C2 P52895 5/20 0.71
TSHR P16473 2/20 0.71
SLC22A6 Q4U2R8 2/20 0.71
CDC42 P60953 1/20 0.71
RAC1 P63000 1/20 0.71
CYP1A2 P05177 1/20 0.71
APP P05067 1/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 2/20 0.53
CYP2C9 P11712 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
ALOX5 P09917 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53

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
SCHEMBL599316 1.00 PTGS2 (0.71) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL350067 1.00 PTGS2 (0.71) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL28662721 0.98 PTGS2 (0.69) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL1678493 0.94 PTGS2 (0.67) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL4252394 0.91 PTGS2 (0.61) PTGS2AKR1C3PTGS1AKR1C2TSHR
Anisole SCHEMBL28171713 0.88 PTGS1 (0.62) PTGS2AKR1C3PTGS1AKR1C2TSHR
Fluorobenzene SCHEMBL27542547 0.88 CYP2C19 (0.59) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL20608577 0.88 PTGS2 (0.56) PTGS2AKR1C3PTGS1AKR1C2TSHR
Mequinol SCHEMBL28271410 0.86 PTGS2 (0.55) PTGS2AKR1C3PTGS1AKR1C2TSHR
SCHEMBL8834311 0.85 MEN1 (0.54) PTGS2AKR1C3PTGS1AKR1C2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US disclosed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US disclosed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US disclosed
EP-2752419-A1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-07-09 EP disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
EP-2719679-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2014-04-16 EP disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 US disclosed
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 US disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 WO disclosed
EP-0272787-B1 CATALYTIC PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID Takasago International Corporation (JP) 1992-05-06 EP disclosed
US-4962230-A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-09 US disclosed
EP-0272787-A2 Catalytic production of optically active carboxylic acid Takasago International Corporation (JP) 1988-06-29 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 (5 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-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils CXCL8, MMP8, CCR8 PTGS2 219/4885AKR1C3 175/4885PTGS1 171/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 PTGS2 1008/4885AKR1C3 781/4885PTGS1 542/4885
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 PTGS2 1254/4885AKR1C3 462/4885PTGS1 820/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A PTGS2 2021/4885AKR1C3 130/4885PTGS1 2304/4885
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof FAR1, WEE1, ALDH7A1 PTGS2 3262/4885AKR1C3 447/4885PTGS1 1814/4885

“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.