SCHEMBL831956

SCHEMBL831956

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
EDNRB P24530 1/20 0.35
PPARG P37231 3/20 0.34
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIK3C2B O00750 1/20 0.33
CNR2 P34972 2/20 0.33
F10 P00742 1/20 0.33
SCN2B O60939 1/20 0.32
SCN1A P35498 1/20 0.32
SCN1B Q07699 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
KMT2A Q03164 2/20 0.32
LTB4R Q15722 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
MCL1 Q07820 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
SCHEMBL831751 0.91 CYP2C8 (0.41) CYP2C8EDNRBPTGER4KDM4ESCN2B
SCHEMBL831573 0.90 CYP2C8 (0.38) CYP2C8PPARGPTGER4KMT2AOPRL1
SCHEMBL832193 0.89 CYP2C8 (0.39) CYP2C8EDNRBPPARGPTGER4SCN2B
SCHEMBL832356 0.89 CYP2C8 (0.40) CYP2C8EDNRBPTGER4SCN2BSCN1A
SCHEMBL832179 0.89 CYP2C8 (0.49) CYP2C8EDNRBPTGER4KDM4ESCN2B
SCHEMBL831963 0.88 CYP2C8 (0.40) CYP2C8EDNRBKDM4ESCN9AKMT2A
SCHEMBL831787 0.88 CYP2C8 (0.40) CYP2C8EDNRBKDM4EKMT2A
SCHEMBL831033 0.88 CYP2C8 (0.41) CYP2C8EDNRBPPARGKDM4ECNR2
SCHEMBL831547 0.87 CYP2C8 (0.56) CYP2C8EDNRBPTGER4KDM4EKMT2A
SCHEMBL831766 0.87 CYP2C8 (0.38) CYP2C8EDNRBPTGER4SCN2BSCN1A

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 847/4885EDNRB 1094/4885PPARG 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.