SCHEMBL831874

SCHEMBL831874

Cc1cccc(Cn2c(C(=O)NS(C)(=O)=O)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
CYP2C8 P10632 1/20 0.41
SCN9A Q15858 6/20 0.39
SCN5A Q14524 5/20 0.39
SCN2B O60939 2/20 0.39
SCN1B Q07699 2/20 0.39
SCN1A P35498 1/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
TACR1 P25103 1/20 0.34
MCL1 Q07820 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
SCHEMBL831250 0.94 PPARG (0.45) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL832381 0.93 CYP2C8 (0.41) PPARGCYP2C8GRIN1GRIN2BPTGDR2
SCHEMBL831181 0.91 CYP2C8 (0.43) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL832018 0.90 SCN9A (0.39) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL831415 0.90 PPARG (0.46) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL831952 0.89 PPARG (0.42) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL10256115 0.89 CYP2C8 (0.45) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL832020 0.88 CYP2C8 (0.42) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL12673746 0.88 CYP2C8 (0.52) PPARGCYP2C8GRIN1GRIN2BPTGDR2
SCHEMBL831954 0.87 CYP2C8 (0.43) PPARGCYP2C8GRIN1GRIN2BPTGDR2

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 5 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

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 847/4885SCN9A 3807/4885

“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.