SCHEMBL831573

SCHEMBL831573

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
MCHR1 Q99705 5/20 0.35
PPARG P37231 5/20 0.34
KMT2A Q03164 4/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 1/20 0.33
OPRL1 P41146 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL831956 0.90 CYP2C8 (0.40) CYP2C8PPARGKMT2APTGER4OPRL1
SCHEMBL831751 0.88 CYP2C8 (0.41) CYP2C8PTGDR2KMT2APTGER4MEN1
SCHEMBL832336 0.88 CYP2C8 (0.39) CYP2C8PTGDR2PPARGKMT2AMEN1
SCHEMBL832179 0.87 CYP2C8 (0.49) CYP2C8KMT2APTGER4MEN1AURKA
SCHEMBL832356 0.87 CYP2C8 (0.40) CYP2C8KMT2APTGER4AURKATPX2
SCHEMBL831547 0.86 CYP2C8 (0.56) CYP2C8KMT2APTGER4MEN1AURKA
SCHEMBL831907 0.85 SCN9A (0.34) CYP2C8PTGER4AURKATPX2
SCHEMBL862404 0.85 CYP2C8 (0.40) CYP2C8PPARGKMT2APTGER4MEN1
SCHEMBL831963 0.85 CYP2C8 (0.40) CYP2C8PTGDR2KMT2AMEN1
SCHEMBL831683 0.85 CYP2C8 (0.38) CYP2C8PTGDR2PPARGKMT2AMEN1

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 847/4885PTGDR2 1609/4885MCHR1 955/4885

“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.