SCHEMBL831907

SCHEMBL831907

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2CCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.34
SCN5A Q14524 7/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
PARG Q86W56 1/20 0.33
PTGER4 P35408 1/20 0.33
RORC P51449 4/20 0.33
MGAT2 Q10469 2/20 0.33
SCN2B O60939 1/20 0.33
SCN1A P35498 1/20 0.33
SCN1B Q07699 1/20 0.33
CYP2C8 P10632 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
SCHEMBL831172 0.92 SCN9A (0.36) SCN9APARGRORCMGAT2CYP2C8
SCHEMBL831192 0.91 SCN9A (0.35) SCN9ASCN5AAURKATPX2PTGER4
SCHEMBL832356 0.86 CYP2C8 (0.40) SCN9ASCN5AAURKATPX2PTGER4
SCHEMBL831751 0.85 CYP2C8 (0.41) SCN9ASCN5AAURKATPX2PARG
SCHEMBL831573 0.85 CYP2C8 (0.38) AURKATPX2PTGER4CYP2C8
SCHEMBL862404 0.84 CYP2C8 (0.40) SCN9ASCN5AAURKATPX2PTGER4
SCHEMBL831683 0.84 CYP2C8 (0.38) SCN9ASCN5AAURKATPX2SCN2B
SCHEMBL831956 0.84 CYP2C8 (0.40) SCN9ASCN5AAURKATPX2PTGER4
SCHEMBL831238 0.84 SCN5A (0.36) SCN9ASCN5ACYP2C8
SCHEMBL832193 0.83 CYP2C8 (0.39) SCN9ASCN5AAURKATPX2PTGER4

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 SCN9A 3807/4885SCN5A 1398/4885AURKA 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.