SCHEMBL830778

SCHEMBL830778

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc(F)ccc3F)c2cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.54
SCN9A Q15858 6/20 0.37
KMT2A Q03164 4/20 0.37
SCN2B O60939 4/20 0.37
SCN1B Q07699 4/20 0.37
SCN5A Q14524 4/20 0.37
MEN1 O00255 2/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
SCN1A P35498 2/20 0.34
PPARG P37231 1/20 0.33
DHODH Q02127 1/20 0.33
BRD4 O60885 1/20 0.33
MCL1 Q07820 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
SCHEMBL831258 0.93 CYP2C8 (0.53) CYP2C8KMT2AMEN1PTGDR2BRD4
SCHEMBL862430 0.92 CYP2C8 (0.45) CYP2C8SCN9AKMT2ASCN2BSCN1B
SCHEMBL831202 0.92 CYP2C8 (0.57) CYP2C8SCN9AKMT2ASCN2BSCN1B
SCHEMBL831198 0.90 CYP2C8 (0.43) CYP2C8SCN9AKMT2ASCN2BSCN1B
SCHEMBL831949 0.90 CYP2C8 (0.51) CYP2C8SCN9AKMT2ASCN2BSCN1B
SCHEMBL831268 0.89 CYP2C8 (0.45) CYP2C8SCN9AKMT2AMEN1PTGDR2
SCHEMBL831053 0.88 CYP2C8 (0.41) CYP2C8SCN9AKMT2APTGDR2PPARG
SCHEMBL862182 0.87 CYP2C8 (0.40) CYP2C8SCN9AKMT2AMEN1PTGDR2
SCHEMBL831502 0.86 CYP2C8 (0.40) CYP2C8SCN9AKMT2ASCN5APTGDR2
SCHEMBL862217 0.86 PPARG (0.43) CYP2C8SCN9APTGDR2PPARG

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-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CYP2C8 847/4885SCN9A 3807/4885KMT2A 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.