SCHEMBL831415

SCHEMBL831415

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
CYP2C8 P10632 1/20 0.42
KMT2A Q03164 3/20 0.42
SCN9A Q15858 4/20 0.39
SCN5A Q14524 2/20 0.39
EPHX2 P34913 1/20 0.37
SCN2B O60939 1/20 0.37
SCN1B Q07699 1/20 0.37
DDR1 Q08345 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ECE1 P42892 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL831693 0.94 CYP2C8 (0.42) PPARGCYP2C8KMT2AEPHX2ECE1
SCHEMBL831250 0.93 PPARG (0.45) PPARGCYP2C8KMT2ASCN9ASCN5A
SCHEMBL830972 0.93 CYP2C8 (0.42) PPARGCYP2C8KMT2AEPHX2DDR1
SCHEMBL831566 0.92 PPARG (0.43) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL832029 0.92 PPARG (0.43) PPARGCYP2C8SCN9ASCN5ASCN2B
SCHEMBL831333 0.91 KMT2A (0.41) PPARGCYP2C8KMT2AEPHX2DDR1
SCHEMBL832679 0.90 CYP2C8 (0.39) PPARGCYP2C8KMT2AEPHX2DDR1
SCHEMBL831139 0.90 CYP2C8 (0.40) PPARGCYP2C8KMT2AEPHX2DDR1
SCHEMBL10257313 0.90 CYP2C8 (0.43) PPARGCYP2C8KMT2ASCN9ASCN5A
SCHEMBL831874 0.90 PPARG (0.44) PPARGCYP2C8SCN9ASCN5ASCN2B

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 PPARG 4093/4885CYP2C8 847/4885KMT2A 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.