SCHEMBL4600787

SCHEMBL4600787

CCc1ccsc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.41
LTB4R Q15722 6/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
AKR1B1 P15121 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL10424599 0.88 AKR1B1 (0.43) PTGDR2LTB4RALDH1A1KDM4EPPARG
SCHEMBL10888140 0.87 LTB4R (0.43) PTGDR2LTB4RALDH1A1KDM4EPPARG
SCHEMBL367774 0.86 AKR1B1 (0.39) PTGDR2LTB4RALDH1A1KMT2ATP53
SCHEMBL15380492 0.86 LTB4R (0.47) PTGDR2LTB4RALDH1A1KDM4EPPARG
SCHEMBL11345353 0.82 ALDH1A1 (0.40) PTGDR2LTB4RALDH1A1KDM4EPPARG
SCHEMBL11477093 0.82 KMT2A (0.40) PTGDR2LTB4RALDH1A1KDM4EPPARG
SCHEMBL9093730 0.81 LTB4R (0.51) LTB4RALDH1A1PPARGHPGDHSD17B10
SCHEMBL4599796 0.81 LTB4R (0.51) LTB4RALDH1A1KDM4EPOLBKMT2A
Carbamic Acid SCHEMBL9006901 0.80 ALOX5 (0.42) LTB4RALDH1A1KDM4EKMT2AMEN1
SCHEMBL8060939 0.79 KMT2A (0.41) ALDH1A1KDM4EKMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3625227-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
EP-1199307-A1 Pharmaceutically active benzoquinazoline compounds THE WELLCOME FOUNDATION LIMITED (GB) 2002-04-24 EP disclosed
US-6306865-B1 SYNTHASE INHIBITORS AND ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-6090941-A Pharmaceutically active benzoquinazoline compounds GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0932629-A1 FUNCTIONALIZED POLYMERS Infineum Holdings BV (NL) 1999-08-04 EP disclosed
WO-1999009074-A1 FUNCTIONALIZED POLYMERS INFINEUM HOLDINGS B.V. (NL) 1999-02-25 WO disclosed
US-5663337-A ENZYME, ANTITUMOR GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
US-5661155-A THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS GLAXO WELLCOME INC. (US) 1997-08-26 US disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
EP-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 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 (6 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PTGDR2 9/4885LTB4R 10/4885ALDH1A1 575/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PTGDR2 6/4885LTB4R 10/4885ALDH1A1 527/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PTGDR2 9/4885LTB4R 10/4885ALDH1A1 468/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PTGDR2 9/4885LTB4R 10/4885ALDH1A1 468/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 PTGDR2 11/4885LTB4R 8/4885ALDH1A1 477/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 PTGDR2 11/4885LTB4R 8/4885ALDH1A1 477/4885

“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.