SCHEMBL830885

SCHEMBL830885

CCOc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.40
CYP2C8 P10632 1/20 0.39
PPARG P37231 2/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 3/20 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
MAPT P10636 2/20 0.34
SCN5A Q14524 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL831825 0.94 CYP2C8 (0.39) EDNRBCYP2C8PPARGTP53RXFP1
SCHEMBL862397 0.92 TP53 (0.44) EDNRBCYP2C8PPARGTP53RXFP1
SCHEMBL862217 0.92 PPARG (0.43) EDNRBCYP2C8PPARGTP53SCN9A
SCHEMBL10257585 0.91 PPARG (0.40) CYP2C8PPARGSCN9ASCN5APTGDR2
SCHEMBL831243 0.89 EDNRB (0.43) EDNRBPPARGTP53RXFP1SCN9A
SCHEMBL862182 0.88 CYP2C8 (0.40) EDNRBCYP2C8PPARGSCN9APER2
SCHEMBL831268 0.88 CYP2C8 (0.45) CYP2C8PPARGSCN9AMAPTPTGDR2
SCHEMBL831198 0.88 CYP2C8 (0.43) CYP2C8PPARGRXFP1SCN9ASCN5A
SCHEMBL12673689 0.88 CYP2C8 (0.49) EDNRBCYP2C8TP53RXFP1PTGDR2
SCHEMBL831053 0.88 CYP2C8 (0.41) CYP2C8PPARGSCN9APTGDR2

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 EDNRB 1094/4885CYP2C8 847/4885PPARG 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.