SCHEMBL831825

SCHEMBL831825

CCOc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
EDNRB P24530 4/20 0.39
PPARG P37231 2/20 0.37
F2RL3 Q96RI0 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTGER1 P34995 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL830885 0.94 EDNRB (0.40) CYP2C8EDNRBPPARGPTGDR2TP53
SCHEMBL831730 0.92 PPARG (0.43) CYP2C8EDNRBPPARGF2RL3PTGDR2
SCHEMBL862397 0.92 TP53 (0.44) CYP2C8EDNRBPPARGTP53RXFP1
SCHEMBL862333 0.91 F2RL3 (0.45) CYP2C8PPARGF2RL3PTGDR2SCN9A
SCHEMBL830993 0.91 CYP2C8 (0.39) CYP2C8PPARGF2RL3PTGDR2SCN9A
SCHEMBL862753 0.89 PPARG (0.38) CYP2C8EDNRBPPARGF2RL3PTGDR2
SCHEMBL830903 0.89 PPARG (0.42) EDNRBPPARGF2RL3PTGDR2TP53
SCHEMBL10257269 0.88 CYP2C8 (0.40) CYP2C8PPARGPTGDR2TP53SCN9A
SCHEMBL831196 0.88 CYP2C8 (0.43) CYP2C8PPARGPTGDR2RXFP1SCN9A
SCHEMBL12674018 0.88 CYP2C8 (0.49) CYP2C8EDNRBF2RL3PTGDR2TP53

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
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CYP2C8 847/4885EDNRB 1094/4885PPARG 4093/4885

“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.