SCHEMBL831987

SCHEMBL831987

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.60
PPARG P37231 8/20 0.41
KMT2A Q03164 6/20 0.36
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
RCE1 Q9Y256 1/20 0.33
MEN1 O00255 1/20 0.33
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
SCHEMBL832115 0.91 CYP2C8 (0.62) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL831648 0.90 CYP2C8 (0.56) CYP2C8PPARGKMT2ASCN5ASCN9A
SCHEMBL832847 0.90 CYP2C8 (0.65) CYP2C8PPARGKMT2ASCN9ARCE1
SCHEMBL12665821 0.89 CYP2C8 (0.66) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL862450 0.89 CYP2C8 (0.60) CYP2C8PPARGKMT2ASCN9ARCE1
SCHEMBL12665637 0.88 CYP2C8 (0.74) CYP2C8KMT2APTGDR2RCE1MEN1
SCHEMBL832432 0.86 CYP2C8 (0.69) CYP2C8KMT2ASCN9ARCE1MEN1
SCHEMBL831415 0.86 PPARG (0.46) CYP2C8PPARGKMT2ASCN5ASCN9A
SCHEMBL831250 0.85 PPARG (0.45) CYP2C8PPARGKMT2ASCN5ASCN9A
SCHEMBL10257313 0.84 CYP2C8 (0.43) CYP2C8PPARGKMT2ASCN5ASCN9A

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 847/4885PPARG 4093/4885KMT2A 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.