SCHEMBL832072

SCHEMBL832072

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.36
S1PR3 Q99500 2/20 0.33
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PARG Q86W56 1/20 0.31
SCN5A Q14524 3/20 0.31
SCN9A Q15858 3/20 0.31
PLA2G2A P14555 1/20 0.31
EDNRB P24530 1/20 0.31
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 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
SCHEMBL831166 0.93 ALDH1A1 (0.37) CYP2C8AURKATPX2PLA2G2AKMT2A
SCHEMBL831390 0.92 CYP2C8 (0.39) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831480 0.91 CYP2C8 (0.39) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL832281 0.91 CYP2C8 (0.38) CYP2C8S1PR3PARGSCN9APLA2G2A
SCHEMBL831683 0.91 CYP2C8 (0.38) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL831639 0.90 CYP2C8 (0.37) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL832356 0.90 CYP2C8 (0.40) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL833251 0.90 CYP2C8 (0.36) CYP2C8AURKATPX2SCN5ASCN9A
SCHEMBL831325 0.90 CYP2C8 (0.37) CYP2C8AURKATPX2PARGSCN5A
SCHEMBL831751 0.89 CYP2C8 (0.41) CYP2C8AURKATPX2PARGSCN5A

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
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-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 847/4885S1PR3 1346/4885AURKA 1855/4885

“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.