SCHEMBL3635965

SCHEMBL3635965

CC(C)(C)c1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.63
SMAD3 P84022 1/20 0.60
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALDH1A1 P00352 2/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PDPK1 O15530 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
APEX1 P27695 1/20 0.58
CYP2C19 P33261 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SRD5A2 P31213 2/20 0.54
MAPT P10636 1/20 0.54
DAO P14920 1/20 0.54
KMT2A Q03164 1/20 0.51
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL29709913 1.00 PIN1 (0.63) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL3597533 0.87 EIF4A3 (0.58) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL29784199 0.87 EIF4A3 (0.58) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL13554437 0.85 MMP2 (0.46) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL377228 0.83 KDM4E (0.63) PIN1SMAD3KDM4EHPGDHSD17B10
SCHEMBL12826975 0.83 ALOX15 (0.52) PIN1KDM4EALDH1A1LMNAKMT2A
SCHEMBL13334410 0.83 HRH4 (0.46) PIN1SMAD3HRH4PDGFRBABL1
SCHEMBL13334344 0.81 TP53 (0.47) PIN1KDM4EALDH1A1LMNAMAPT
SCHEMBL13334417 0.81 TP53 (0.71) LMNAKMT2ATP53POLBNPC1
SCHEMBL22718631 0.81 MAOA (0.56) KMT2ATP53POLBNPC1RAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
US-20220190249-A1 LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-16 US disclosed
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP disclosed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
EP-0880519-B1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
EP-1170009-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0880519-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
WO-1997027190-A1 THIAZOLYLBENZOFURAN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-31 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 (2 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PIN1 2950/4885SMAD3 4209/4885KDM4E 3048/4885
US-20220190249-A1 LIGHT EMITTING DEVICE ALDH1A1, ALG3, LEF1 PIN1 711/4885SMAD3 2809/4885KDM4E 1380/4885

“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.