SCHEMBL832281

SCHEMBL832281

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
PPARG P37231 3/20 0.35
S1PR3 Q99500 2/20 0.35
PLA2G2A P14555 1/20 0.33
KMT2A Q03164 4/20 0.32
SCN9A Q15858 2/20 0.32
PARG Q86W56 1/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL832353 0.92 CYP2C8 (0.38) CYP2C8PPARGPLA2G2AKMT2AMAPT
SCHEMBL831753 0.91 CYP2C8 (0.41) CYP2C8PPARGS1PR3PLA2G2AKMT2A
SCHEMBL832072 0.91 CYP2C8 (0.36) CYP2C8PPARGS1PR3PLA2G2AKMT2A
SCHEMBL862182 0.90 CYP2C8 (0.40) CYP2C8PPARGKMT2ASCN9AMEN1
SCHEMBL13906260 0.89 CYP2C8 (0.40) CYP2C8S1PR3PLA2G2AKMT2AMAPT
SCHEMBL12665809 0.89 CYP2C8 (0.41) CYP2C8S1PR3PLA2G2AKMT2AMAPT
SCHEMBL12665273 0.89 CYP2C8 (0.48) CYP2C8PPARGS1PR3PLA2G2AKMT2A
SCHEMBL832113 0.89 CYP2C8 (0.38) CYP2C8PPARGKMT2ASCN9AMAPT
SCHEMBL831236 0.89 CYP2C8 (0.40) CYP2C8PPARGS1PR3KMT2ASCN9A
SCHEMBL831799 0.89 CYP2C8 (0.41) CYP2C8PPARGKMT2ASCN9AMAPT

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 847/4885PPARG 4093/4885S1PR3 1346/4885

“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.