SCHEMBL832018

SCHEMBL832018

Cc1cccc(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3cc(C(F)(F)F)ccc32)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.39
SCN5A Q14524 6/20 0.39
CYP2C8 P10632 1/20 0.39
PPARG P37231 6/20 0.38
SCN2B O60939 4/20 0.37
SCN1B Q07699 4/20 0.37
SCN1A P35498 3/20 0.37
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 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
SCHEMBL831412 0.94 CYP2C8 (0.41) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL831761 0.91 CYP2C8 (0.41) SCN9ASCN5ACYP2C8SCN2BSCN1B
SCHEMBL831874 0.90 PPARG (0.44) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL832124 0.90 SCN9A (0.39) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL831050 0.90 SCN9A (0.41) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL832381 0.90 CYP2C8 (0.41) CYP2C8PPARGGRIN1GRIN2BPTGDR2
SCHEMBL832193 0.89 CYP2C8 (0.39) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL8863617 0.87 CYP2C8 (0.41) CYP2C8PPARGGRIN1GRIN2BPTGDR2
SCHEMBL831488 0.87 SCN9A (0.40) SCN9ASCN5ACYP2C8PPARGSCN2B
SCHEMBL832019 0.87 KMT2A (0.39) SCN9ASCN5ACYP2C8PPARGGRIN1

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 1398/4885CYP2C8 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.