SCHEMBL831952

SCHEMBL831952

Cc1ccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
CYP2C8 P10632 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
SCN9A Q15858 6/20 0.37
SCN5A Q14524 5/20 0.37
SCN2B O60939 2/20 0.37
SCN1B Q07699 2/20 0.37
SCN1A P35498 1/20 0.37
DDR1 Q08345 1/20 0.37

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
SCHEMBL831969 0.93 CYP2C8 (0.41) PPARGCYP2C8PTGDR2DDR1
SCHEMBL831250 0.92 PPARG (0.45) PPARGCYP2C8PTGDR2SCN9ASCN5A
SCHEMBL831523 0.92 CYP2C8 (0.43) PPARGCYP2C8PTGDR2SCN9ASCN5A
SCHEMBL832124 0.90 SCN9A (0.39) PPARGCYP2C8PTGDR2SCN9ASCN5A
SCHEMBL831874 0.89 PPARG (0.44) PPARGCYP2C8PTGDR2SCN9ASCN5A
SCHEMBL831566 0.88 PPARG (0.43) PPARGCYP2C8PTGDR2SCN9ASCN5A
SCHEMBL862209 0.88 CYP2C8 (0.44) CYP2C8PTGDR2SCN9ASCN5ASCN2B
SCHEMBL831415 0.88 PPARG (0.46) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL12665284 0.88 CYP2C8 (0.52) CYP2C8PTGDR2DDR1
SCHEMBL862540 0.88 CYP2C8 (0.40) PPARGCYP2C8PTGDR2SCN9ASCN2B

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 PPARG 4093/4885CYP2C8 847/4885PTGDR2 1609/4885

“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.