SCHEMBL6465873

SCHEMBL6465873

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.40
CDK8 P49336 7/20 0.40
ICAM1 P05362 4/20 0.39
SELE P16581 4/20 0.39
VCAM1 P19320 3/20 0.39
SERPINE1 P05121 2/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL6025930 0.86 CCNC (0.43) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL6026223 0.82 STING1 (0.47) MAPK1ALDH1A1HPGDHSD17B10ABCG2
SCHEMBL6025626 0.80 ICAM1 (0.41) ICAM1SELEVCAM1MAPK1HPGD
SCHEMBL6025020 0.78 COMT (0.39) ICAM1SELEVCAM1MAPK1ALDH1A1
SCHEMBL6025169 0.77 EDNRA (0.47) MAPK1ALDH1A1HPGDHTT
SCHEMBL6026202 0.76 KMT2A (0.38) MAPK1ALDH1A1HPGDHSD17B10ABCG2
SCHEMBL5215280 0.74 ESR1 (0.43) CCNCCDK8SERPINE1MAPK1ALDH1A1
SCHEMBL6025205 0.73 HTR2A (0.39)
SCHEMBL6026496 0.73 PIK3CD (0.36) ICAM1SELEVCAM1MAPK1ALDH1A1
SCHEMBL6025778 0.72 ALDH1A1 (0.38) ICAM1SELEVCAM1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096350-A1 Halo substituted benzo[b]thiophenes as therapeutic agents CONNOLLY MICHAEL K (US) 2005-05-05 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 (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 2883/4885ICAM1 4657/4885

“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.