SCHEMBL831236

SCHEMBL831236

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1cc(N)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
PPARG P37231 2/20 0.36
KMT2A Q03164 5/20 0.33
SCN9A Q15858 4/20 0.33
MEN1 O00255 1/20 0.33
S1PR3 Q99500 1/20 0.32
MAPT P10636 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
EDNRB P24530 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
CHEK1 O14757 1/20 0.30
CDK1 P06493 1/20 0.30
WEE1 P30291 1/20 0.30

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
SCHEMBL831799 0.92 CYP2C8 (0.41) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL862182 0.92 CYP2C8 (0.40) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL831259 0.91 CYP2C8 (0.39) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL831922 0.91 CYP2C8 (0.42) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL862351 0.91 CYP2C8 (0.43) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL8860899 0.89 CYP2C8 (0.39) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL831269 0.89 CYP2C8 (0.38) CYP2C8PPARGKMT2ASCN9AMAPT
SCHEMBL832281 0.89 CYP2C8 (0.38) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL862282 0.89 CYP2C8 (0.38) CYP2C8PPARGKMT2ASCN9AMAPT
SCHEMBL10257269 0.88 CYP2C8 (0.40) CYP2C8PPARGKMT2ASCN9AMEN1

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
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.