SCHEMBL2597844

SCHEMBL2597844

Nc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.65
CYP3A4 P08684 3/20 0.59
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
RGS12 O14924 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
GNAI1 P63096 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRP O00591 2/20 0.49

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
Hydrochloric Acid SCHEMBL11851846 0.98 CA2 (0.62) CA2CYP3A4HPGDHSD17B10KDM4E
SCHEMBL7055740 0.85 CA2 (0.59) CA2HPGDHSD17B10KDM4ETSHR
SCHEMBL2396526 0.83 CYP3A4 (0.57) CA2CYP3A4HPGDHSD17B10KDM4E
SCHEMBL283587 0.82 CA2 (0.71) CA2HPGDHSD17B10KDM4ETSHR
SCHEMBL1000171 0.82 GAA (0.55) CA2HPGDHSD17B10KDM4ETSHR
SCHEMBL23665797 0.81 CYP3A4 (0.55) CA2CYP3A4
Methane SCHEMBL7951771 0.80 CA2 (0.69) CA2HPGDHSD17B10KDM4ETSHR
Hydrochloric Acid SCHEMBL2530252 0.80 CA2 (0.69) CA2HPGDHSD17B10KDM4ETSHR
SCHEMBL19180323 0.79 CYP3A4 (0.52) CA2CYP3A4
SCHEMBL2434505 0.79 ALDH1A1 (0.64) CA2CYP3A4HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists GLAXO GROUP LIMITED (GB) 2013-10-03 US disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-8314147-B2 Benzamide derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-11-20 US disclosed
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2010-10-28 US disclosed
EP-2046742-B1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
EP-2081897-B1 ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
WO-2008012344-A1 NAPHTHALENE DERIVATIVES USED AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
WO-2008012347-A1 BENZO [F] ISOINDOLES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-01-31 WO disclosed
US-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same SAI NIPPON PRINTING CO., LTD. (JP) 2007-11-22 US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
WO-2007088189-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2007-08-09 WO disclosed
WO-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed
EP-0757669-B1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1998-11-18 EP disclosed
EP-0757669-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-02-12 EP disclosed
WO-1995029148-A1 O-ACYL-4-PHENYL-CYCLOHEXANOLS, THEIR SALTS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE, AS WELL AS A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1995-11-02 WO disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 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 (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-20070269664-A1 Gas Barrier Laminated Film and Process for Producing the Same CDH1, VIL1, TET1 CA2 774/4885CYP3A4 2668/4885HPGD 3570/4885
US-20100273853-A1 NOVEL ISOINDOL DERIVATIVES AS EP4 RECEPTOR AGONISTS PTGER4, PTGER1, PTGER3 CA2 4527/4885CYP3A4 79/4885HPGD 345/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB CA2 4702/4885CYP3A4 534/4885HPGD 959/4885
US-20130261185-A1 Benzamide Derivatives As EP4 Receptor Agonists PTGER4, PTGER1, PTGER3 CA2 3618/4885CYP3A4 146/4885HPGD 748/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 CA2 887/4885CYP3A4 8/4885HPGD 987/4885

“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.