SCHEMBL832739

SCHEMBL832739

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CCS(=O)(=O)C1)n2Cc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.34
CYP2C8 P10632 1/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
ALDH1A1 P00352 3/20 0.33
PARG Q86W56 2/20 0.30
PTGDR2 Q9Y5Y4 3/20 0.30
HSD17B10 Q99714 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL831551 0.92 SCN9A (0.40) PPARGCYP2C8SCN5ASCN9APARG
SCHEMBL832522 0.85 PPARG (0.38) PPARGCYP2C8
SCHEMBL831683 0.84 CYP2C8 (0.38) PPARGCYP2C8SCN5ASCN9APTGDR2
SCHEMBL832356 0.83 CYP2C8 (0.40) CYP2C8SCN5ASCN9A
SCHEMBL832077 0.83 KMT2A (0.38) CYP2C8ALDH1A1PARGPTGDR2HSD17B10
SCHEMBL831488 0.83 SCN9A (0.40) PPARGCYP2C8SCN5ASCN9APTGDR2
SCHEMBL831751 0.83 CYP2C8 (0.41) CYP2C8SCN5ASCN9AALDH1A1PARG
SCHEMBL831639 0.82 CYP2C8 (0.37) PPARGCYP2C8SCN5ASCN9APARG
SCHEMBL862459 0.82 SCN9A (0.39) PPARGCYP2C8SCN5ASCN9A
SCHEMBL831325 0.82 CYP2C8 (0.37) PPARGCYP2C8SCN5ASCN9APARG

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 PPARG 4093/4885CYP2C8 847/4885SCN5A 1398/4885

“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.