SCHEMBL862174

SCHEMBL862174

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)c3cccc(CS(C)(=O)=O)c3)n(Cc3ccccc3F)c2cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.49
KMT2A Q03164 5/20 0.39
PPARG P37231 4/20 0.37
MEN1 O00255 3/20 0.34
POLB P06746 1/20 0.34
YWHAH Q04917 1/20 0.33
BRD4 O60885 3/20 0.33
TP53 P04637 1/20 0.32
MCL1 Q07820 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
PARG Q86W56 1/20 0.32

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
SCHEMBL831858 0.88 PPARG (0.46) CYP2C8PPARG
SCHEMBL831202 0.86 CYP2C8 (0.57) CYP2C8KMT2APPARGMEN1POLB
SCHEMBL831632 0.82 PPARG (0.45) CYP2C8PPARG
SCHEMBL831380 0.82 CYP2C8 (0.54) CYP2C8KMT2AMEN1POLB
SCHEMBL831310 0.80 CYP2C8 (0.52) CYP2C8KMT2AMEN1POLB
SCHEMBL862176 0.80 CYP2C8 (0.48) CYP2C8KMT2APPARGMEN1YWHAH
SCHEMBL831676 0.79 PPARG (0.45) CYP2C8KMT2APPARG
SCHEMBL832430 0.79 PPARG (0.45) CYP2C8KMT2APPARG
SCHEMBL862184 0.79 PPARG (0.39) CYP2C8KMT2APPARGMEN1BRD4
SCHEMBL830778 0.79 CYP2C8 (0.54) CYP2C8KMT2APPARGMEN1BRD4

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 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.