SCHEMBL5215280

SCHEMBL5215280

COc1cc2c(Oc3ccc(Cl)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
SERPINE1 P05121 2/20 0.42
MCL1 Q07820 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
BCKDK O14874 1/20 0.42
BCL2L1 Q07817 2/20 0.42
BCL2 P10415 1/20 0.42
BAD Q92934 1/20 0.42
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
STING1 Q86WV6 1/20 0.41
PRNP P04156 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
MAPK10 P53779 1/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL5214530 0.89 EDNRA (0.42) ESR1MCL1NPSR1POLBKDM4E
SCHEMBL5215532 0.89 EDNRA (0.44) ESR1MCL1BCL2L1BCL2BAD
SCHEMBL5218742 0.89 STING1 (0.40) ESR1SERPINE1MCL1RXFP1BCKDK
SCHEMBL4771697 0.89 ICAM1 (0.40) ESR1FNTAFNTBMCL1RXFP1
SCHEMBL4762793 0.88 ESR1 (0.43) ESR1BCKDKSTING1PDGFRAKDR
SCHEMBL4770247 0.88 ESR1 (0.38) ESR1MCL1RXFP1STING1PRNP
SCHEMBL5766360 0.87 MAP3K8 (0.42) ESR1SERPINE1MCL1PRSS12L3MBTL1
SCHEMBL6025930 0.87 CCNC (0.43) ESR1FNTAFNTBSERPINE1MCL1
SCHEMBL4771921 0.86 FGFR2 (0.41) ESR1MAPK1PPARGNPSR1ALDH1A1
SCHEMBL5218736 0.86 ICAM1 (0.41) ESR1SERPINE1MCL1RXFP1BCKDK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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 (1 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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 ESR1 911/4885FNTA 1286/4885FNTB 1566/4885

“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.