SCHEMBL831968

SCHEMBL831968

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
KMT2A Q03164 3/20 0.39
SCN9A Q15858 4/20 0.37
SCN5A Q14524 3/20 0.37
SERPINE1 P05121 2/20 0.36
ECE1 P42892 3/20 0.35
DNMT1 P26358 3/20 0.35
PARG Q86W56 1/20 0.33
PTGER4 P35408 1/20 0.33
MEN1 O00255 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL831050 0.93 SCN9A (0.41) CYP2C8KMT2ASCN9ASCN5AECE1
SCHEMBL832000 0.93 CYP2C8 (0.38) CYP2C8KMT2ASCN9ASCN5ASERPINE1
SCHEMBL832019 0.90 KMT2A (0.39) CYP2C8KMT2ASCN9ASCN5AECE1
SCHEMBL831674 0.90 CYP2C8 (0.43) CYP2C8KMT2ASCN9ASCN5AECE1
SCHEMBL8860942 0.90 CYP2C8 (0.36) CYP2C8KMT2ASCN9ASCN5ASERPINE1
SCHEMBL831693 0.90 CYP2C8 (0.42) CYP2C8KMT2ASERPINE1ECE1DNMT1
SCHEMBL862159 0.90 KMT2A (0.42) CYP2C8KMT2ASCN9ASCN5APARG
SCHEMBL831666 0.90 SCN9A (0.39) CYP2C8KMT2ASCN9ASCN5A
SCHEMBL833251 0.90 CYP2C8 (0.36) CYP2C8KMT2ASCN9ASCN5ASERPINE1
SCHEMBL831751 0.89 CYP2C8 (0.41) CYP2C8KMT2ASCN9ASCN5APARG

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 847/4885KMT2A 321/4885SCN9A 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.