SCHEMBL831766

SCHEMBL831766

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccnc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
PTGER4 P35408 1/20 0.34
SCN9A Q15858 7/20 0.33
SCN2B O60939 3/20 0.33
SCN1B Q07699 3/20 0.33
EDNRB P24530 1/20 0.33
AURKA O14965 2/20 0.32
TPX2 Q9ULW0 2/20 0.32
KMT2A Q03164 2/20 0.32
SCN5A Q14524 4/20 0.32
SCN1A P35498 1/20 0.32
RORC P51449 1/20 0.31
EZH2 Q15910 1/20 0.30
PTGDR2 Q9Y5Y4 2/20 0.30
PDPK1 O15530 1/20 0.30
CBLB Q13191 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
SCHEMBL831751 0.90 CYP2C8 (0.41) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL832356 0.89 CYP2C8 (0.40) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL832193 0.88 CYP2C8 (0.39) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL832179 0.87 CYP2C8 (0.49) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL862404 0.87 CYP2C8 (0.40) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL831683 0.87 CYP2C8 (0.38) CYP2C8SCN9ASCN2BSCN1BEDNRB
SCHEMBL831956 0.87 CYP2C8 (0.40) CYP2C8PTGER4SCN9ASCN2BSCN1B
SCHEMBL831963 0.87 CYP2C8 (0.40) CYP2C8SCN9AEDNRBKMT2APTGDR2
SCHEMBL831787 0.87 CYP2C8 (0.40) CYP2C8EDNRBKMT2APTGDR2
SCHEMBL831038 0.87 CYP2C8 (0.42) CYP2C8SCN9ASCN2BSCN1BEDNRB

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 6 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-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 847/4885PTGER4 2953/4885SCN9A 3807/4885

“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.