SCHEMBL831325

SCHEMBL831325

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.37
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PARG Q86W56 1/20 0.32
SCN5A Q14524 3/20 0.31
SCN9A Q15858 3/20 0.31
EDNRB P24530 1/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PPARG P37231 2/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 1/20 0.30
PDPK1 O15530 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
SCHEMBL831639 0.94 CYP2C8 (0.37) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831769 0.92 CYP2C8 (0.39) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831683 0.92 CYP2C8 (0.38) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL832356 0.91 CYP2C8 (0.40) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL832400 0.91 CYP2C8 (0.35) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831983 0.90 CYP2C8 (0.37) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831751 0.90 CYP2C8 (0.41) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL832072 0.90 CYP2C8 (0.36) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831551 0.89 SCN9A (0.40) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL832181 0.89 CYP2C8 (0.38) CYP2C8PARGKMT2AMEN1PPARG

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
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

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 847/4885AURKA 1855/4885TPX2 1329/4885

“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.