SCHEMBL830779

SCHEMBL830779

CCc1ccccc1Cn1c(C(=O)NS(=O)(=O)C2CC2)c(-c2ccc[nH]c2=O)c2cc(C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.41
AURKA O14965 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.35
PTGER4 P35408 1/20 0.35
KMT2A Q03164 3/20 0.35
SCN9A Q15858 3/20 0.34
SCN5A Q14524 2/20 0.34
SCN2B O60939 2/20 0.34
SCN1B Q07699 2/20 0.34
SCN1A P35498 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
EZH2 Q15910 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CBLB Q13191 1/20 0.33
KRAS P01116 1/20 0.33
MOGAT2 Q3SYC2 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
SCHEMBL831674 0.94 CYP2C8 (0.43) CYP2C8AURKATPX2PTGDR2KMT2A
SCHEMBL10256456 0.91 CYP2C8 (0.42) CYP2C8AURKATPX2PTGDR2KMT2A
SCHEMBL831761 0.91 CYP2C8 (0.41) CYP2C8AURKATPX2PTGDR2KMT2A
SCHEMBL832006 0.91 CYP2C8 (0.39) CYP2C8AURKATPX2PTGDR2PTGER4
SCHEMBL831764 0.91 CYP2C8 (0.42) CYP2C8PTGDR2KMT2ASCN9ASCN5A
SCHEMBL831741 0.89 CYP2C8 (0.41) CYP2C8AURKATPX2PTGDR2KMT2A
SCHEMBL10256969 0.89 CYP2C8 (0.41) CYP2C8AURKATPX2PTGDR2KMT2A
SCHEMBL831420 0.88 CYP2C8 (0.40) CYP2C8AURKATPX2PTGDR2PTGER4
SCHEMBL831751 0.88 CYP2C8 (0.41) CYP2C8AURKATPX2PTGDR2PTGER4
SCHEMBL831189 0.87 CYP2C8 (0.39) CYP2C8AURKATPX2PTGDR2KMT2A

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 2 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-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.