SCHEMBL6025930

SCHEMBL6025930

COc1cc2c(Oc3ccc(Cl)cc3)c(C(=O)O)sc2cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.43
CDK8 P49336 6/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
SERPINE1 P05121 2/20 0.42
RXFP1 Q9HBX9 2/20 0.41
BCKDK O14874 2/20 0.41
MCL1 Q07820 1/20 0.41
STING1 Q86WV6 2/20 0.40
PRNP P04156 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
MAPK10 P53779 1/20 0.40
NCOA2 Q15596 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.38
ICAM1 P05362 2/20 0.38

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
SCHEMBL6025626 0.89 ICAM1 (0.41) FNTAFNTBRXFP1BCKDKSTING1
SCHEMBL5215280 0.87 ESR1 (0.43) CCNCCDK8FNTAFNTBSERPINE1
SCHEMBL6465873 0.86 CCNC (0.40) CCNCCDK8SERPINE1RXFP1PRNP
SCHEMBL6026576 0.83 ESR1 (0.42) RXFP1HTTESR1
SCHEMBL6025177 0.82 DYRK1A (0.39) STING1PTGDR2ESR1
SCHEMBL4768068 0.81 MCL1 (0.41) RXFP1BCKDKMCL1STING1TSHR
SCHEMBL5218736 0.81 ICAM1 (0.41) SERPINE1RXFP1BCKDKMCL1STING1
SCHEMBL4762793 0.81 ESR1 (0.43) BCKDKSTING1ESR1
SCHEMBL6025665 0.80 BCKDK (0.56) RXFP1BCKDKMCL1STING1PRNP
SCHEMBL6026277 0.80 STING1 (0.41) SERPINE1STING1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP claimed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US claimed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 WO claimed
EP-1664037-A1 HALO SUBSTITUTED BENZO [B] THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-06-07 EP disclosed
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 US disclosed
WO-2005023800-A1 HALO SUBSTITUTED BENZO`B! THIOPHENES WITH PI3K INHIBITORY ACTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-17 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-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents HCLS1, BRI3BP, BRPF1 CCNC 2549/4885CDK8 2883/4885FNTA 2775/4885

“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.