SCHEMBL862540

SCHEMBL862540

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
PPARG P37231 2/20 0.36
KMT2A Q03164 4/20 0.35
SCN9A Q15858 5/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL831523 0.94 CYP2C8 (0.43) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL861889 0.92 CYP2C8 (0.43) CYP2C8PPARGKMT2ASCN9AGAA
SCHEMBL862209 0.90 CYP2C8 (0.44) CYP2C8KMT2ASCN9AMAPTTP53
SCHEMBL832020 0.88 CYP2C8 (0.42) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL831695 0.88 PPARG (0.41) CYP2C8PPARGSCN9AMAPTRXFP1
SCHEMBL831903 0.88 CYP2C8 (0.45) CYP2C8PPARGKMT2ASCN9AGAA
SCHEMBL12673662 0.88 CYP2C8 (0.51) CYP2C8KMT2AGAAMAPTRXFP1
SCHEMBL831952 0.88 PPARG (0.42) CYP2C8PPARGSCN9ASCN2BSCN1A
SCHEMBL831679 0.88 CYP2C8 (0.40) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL10257269 0.87 CYP2C8 (0.40) CYP2C8PPARGKMT2ASCN9ATP53

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 2 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-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 847/4885PPARG 4093/4885KMT2A 321/4885

“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.