SCHEMBL833251

SCHEMBL833251

CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.36
SCN9A Q15858 6/20 0.34
SCN5A Q14524 5/20 0.34
SERPINE1 P05121 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
AURKA O14965 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
DNMT1 P26358 3/20 0.31
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL831906 0.94 SCN9A (0.38) CYP2C8SCN9ASCN5AKMT2ASCN2B
SCHEMBL831390 0.91 CYP2C8 (0.39) CYP2C8SCN9ASCN5AKMT2AMEN1
SCHEMBL832113 0.91 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASERPINE1KMT2A
SCHEMBL832000 0.91 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASERPINE1KMT2A
SCHEMBL831480 0.90 CYP2C8 (0.39) CYP2C8SCN9ASCN5AKMT2AMEN1
SCHEMBL832072 0.90 CYP2C8 (0.36) CYP2C8SCN9ASCN5AKMT2AAURKA
SCHEMBL831968 0.90 CYP2C8 (0.40) CYP2C8SCN9ASCN5ASERPINE1KMT2A
SCHEMBL832543 0.89 CYP2C8 (0.38) CYP2C8SERPINE1KMT2ADNMT1SIGMAR1
SCHEMBL8860942 0.88 CYP2C8 (0.36) CYP2C8SCN9ASCN5ASERPINE1KMT2A
SCHEMBL831673 0.88 CYP2C8 (0.48) CYP2C8SCN9ASCN5AKMT2AAURKA

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 2 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-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 3807/4885SCN5A 1398/4885

“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.