SCHEMBL832771

SCHEMBL832771

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(C)(=O)=O)c(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
SCN9A Q15858 10/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
SCN5A Q14524 6/20 0.31
SCN4A P35499 2/20 0.31
KMT2A Q03164 1/20 0.30
EDNRB P24530 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
TRPM4 Q8TD43 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
SCHEMBL8861104 0.92 CYP2C8 (0.36) CYP2C8SCN9ASCN5AEDNRBAGTR1
SCHEMBL832356 0.91 CYP2C8 (0.40) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL831662 0.90 CYP2C8 (0.35) CYP2C8
SCHEMBL832673 0.90 CYP2C8 (0.38) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL832323 0.88 CYP2C8 (0.36) CYP2C8SCN9AAURKATPX2KMT2A
SCHEMBL831639 0.88 CYP2C8 (0.37) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL831683 0.87 CYP2C8 (0.38) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL831751 0.87 CYP2C8 (0.41) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL862404 0.86 CYP2C8 (0.40) CYP2C8SCN9AAURKATPX2SCN5A
SCHEMBL832389 0.85 CYP2C8 (0.37) CYP2C8SCN9ASCN5AKMT2AEDNRB

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 847/4885SCN9A 3807/4885AURKA 1855/4885

“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.