SCHEMBL830909

SCHEMBL830909

CC(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccnc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
CYP2C8 P10632 1/20 0.33
SCN9A Q15858 7/20 0.33
SCN5A Q14524 5/20 0.33
SCN2B O60939 1/20 0.31
SCN1B Q07699 1/20 0.31

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
SCHEMBL830699 0.91 KMT2A (0.36) CYP2C8SCN9ASCN2BSCN1B
SCHEMBL831744 0.89 KMT2A (0.38) CYP2C8SCN9ASCN5A
SCHEMBL832184 0.83 CYP2C8 (0.40) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL862469 0.80 PPARG (0.36) CYP2C8
SCHEMBL10260727 0.80 PPARG (0.38) CYP2C8SCN9A
SCHEMBL831545 0.80 KMT2A (0.40) CYP2C8
SCHEMBL831718 0.80 KMT2A (0.40) CYP2C8
SCHEMBL862475 0.80 PPARG (0.36) CYP2C8SCN9ASCN5ASCN2BSCN1B
SCHEMBL10255123 0.80 KMT2A (0.41) CYP2C8
SCHEMBL10257730 0.79 PPARG (0.35) CYP2C8

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 RET 3937/4885CYP2C8 847/4885SCN9A 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.