SCHEMBL831761

SCHEMBL831761

Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cccc(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
SCN9A Q15858 5/20 0.38
SCN2B O60939 3/20 0.38
SCN1B Q07699 3/20 0.38
SCN5A Q14524 3/20 0.38
SCN1A P35498 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.34
CYP2C9 P11712 2/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
MOGAT2 Q3SYC2 2/20 0.32
MGAT2 Q10469 1/20 0.32

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
SCHEMBL832193 0.92 CYP2C8 (0.39) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL832018 0.91 SCN9A (0.39) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831674 0.91 CYP2C8 (0.43) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL830779 0.91 CYP2C8 (0.41) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL10256456 0.90 CYP2C8 (0.42) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831181 0.90 CYP2C8 (0.43) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL10256969 0.89 CYP2C8 (0.41) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL831702 0.89 CYP2C8 (0.42) CYP2C8PTGDR2CYP2C9PTGS1SLC6A4
SCHEMBL831420 0.88 CYP2C8 (0.40) CYP2C8SCN9ASCN2BSCN1BSCN5A
SCHEMBL832006 0.88 CYP2C8 (0.39) CYP2C8SCN9ASCN2BSCN1BSCN5A

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 3807/4885SCN2B 3005/4885

“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.