SCHEMBL831597

SCHEMBL831597

CC1(c2ccc3c(c2)c(-c2ccc[nH]c2=O)c(C(=O)NS(=O)(=O)C2CC2)n3Cc2cc(F)ccc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.37
SCN9A Q15858 12/20 0.34
SCN5A Q14524 8/20 0.34
SCN1A P35498 3/20 0.34
SCN2B O60939 2/20 0.34
SCN1B Q07699 2/20 0.34
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PARG Q86W56 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
KMT2A Q03164 2/20 0.31
SCN2A Q99250 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
CYP2C9 P11712 1/20 0.31
SCN7A Q01118 1/20 0.31
SCN4A P35499 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
SCHEMBL831865 0.91 CYP2C8 (0.39) CYP2C8SCN9APARGPTGDR2KMT2A
SCHEMBL831763 0.91 CYP2C8 (0.40) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL831741 0.89 CYP2C8 (0.41) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL10257265 0.88 CYP2C8 (0.41) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL831683 0.88 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL832000 0.87 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL831488 0.86 SCN9A (0.40) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL862447 0.86 CYP2C8 (0.42) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL831949 0.86 CYP2C8 (0.51) CYP2C8SCN9ASCN5ASCN1ASCN2B
SCHEMBL831056 0.86 CYP2C8 (0.37) CYP2C8SCN9ASCN5ASCN1ASCN2B

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 847/4885SCN9A 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.