SCHEMBL831906

SCHEMBL831906

O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.38
SCN5A Q14524 5/20 0.38
CYP2C8 P10632 1/20 0.35
PPARG P37231 4/20 0.33
SCN2B O60939 3/20 0.32
SCN1B Q07699 3/20 0.32
SCN1A P35498 2/20 0.32
GPR17 Q13304 1/20 0.31
CCR2 P41597 1/20 0.30
TNF P01375 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
KMT2A Q03164 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
SCHEMBL833251 0.94 CYP2C8 (0.36) SCN9ASCN5ACYP2C8SCN2BSCN1B
SCHEMBL831480 0.91 CYP2C8 (0.39) SCN9ASCN5ACYP2C8SCN2BSCN1B
SCHEMBL831488 0.91 SCN9A (0.40) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL831390 0.90 CYP2C8 (0.39) SCN9ASCN5ACYP2C8SCN2BSCN1B
SCHEMBL831050 0.89 SCN9A (0.41) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL832072 0.89 CYP2C8 (0.36) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL831578 0.88 SCN9A (0.38) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL831673 0.88 CYP2C8 (0.48) SCN9ASCN5ACYP2C8SCN2BSCN1B
SCHEMBL8859096 0.87 SCN9A (0.39) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL862459 0.87 SCN9A (0.39) SCN9ASCN5ACYP2C8PPARGSCN2B

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 3 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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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 1398/4885CYP2C8 847/4885

“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.