SCHEMBL831673

SCHEMBL831673

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc([N+](=O)[O-])ccc3F)c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.48
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
SCN9A Q15858 9/20 0.33
SCN5A Q14524 7/20 0.33
SCN2B O60939 3/20 0.33
SCN1B Q07699 3/20 0.33
SCN1A P35498 3/20 0.33
KMT2A Q03164 2/20 0.33
S1PR3 Q99500 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
SCN4A P35499 1/20 0.30
SCN7A Q01118 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
MGAT2 Q10469 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
SCHEMBL831390 0.92 CYP2C8 (0.39) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL832190 0.91 CYP2C8 (0.38) CYP2C8SCN9ASCN5ASCN1AKMT2A
SCHEMBL10257171 0.91 CYP2C8 (0.51) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL831949 0.91 CYP2C8 (0.51) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL831480 0.89 CYP2C8 (0.39) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL831380 0.89 CYP2C8 (0.54) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL832072 0.89 CYP2C8 (0.36) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL833251 0.88 CYP2C8 (0.36) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL13209944 0.88 CYP2C8 (0.37) CYP2C8AURKATPX2SCN9ASCN5A
SCHEMBL8860835 0.88 CYP2C8 (0.47) CYP2C8AURKATPX2SCN9ASCN5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
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 847/4885AURKA 1855/4885TPX2 1329/4885

“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.