SCHEMBL862430

SCHEMBL862430

CCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3cc(F)ccc3F)c2cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.45
KMT2A Q03164 4/20 0.35
PPARG P37231 2/20 0.35
MEN1 O00255 2/20 0.35
SCN9A Q15858 6/20 0.34
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN5A Q14524 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.32
DHODH Q02127 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL830778 0.92 CYP2C8 (0.54) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862176 0.92 CYP2C8 (0.48) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862423 0.91 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862182 0.90 CYP2C8 (0.40) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL862447 0.90 CYP2C8 (0.42) CYP2C8KMT2AMEN1SCN9ASCN2B
SCHEMBL831268 0.89 CYP2C8 (0.45) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL831198 0.89 CYP2C8 (0.43) CYP2C8KMT2APPARGMEN1SCN9A
SCHEMBL831053 0.88 CYP2C8 (0.41) CYP2C8KMT2APPARGSCN9APTGDR2
SCHEMBL830885 0.87 EDNRB (0.40) CYP2C8PPARGSCN9ASCN5APTGDR2
SCHEMBL831502 0.86 CYP2C8 (0.40) CYP2C8KMT2APPARGSCN9ASCN5A

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
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-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 847/4885KMT2A 321/4885PPARG 4093/4885

“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.