SCHEMBL861889

SCHEMBL861889

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.43
PPARG P37231 4/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EDNRB P24530 1/20 0.35
SCN9A Q15858 2/20 0.35
PARG Q86W56 1/20 0.34
TP53 P04637 1/20 0.34
KDM4A O75164 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL832020 0.93 CYP2C8 (0.42) CYP2C8PPARGKMT2AMEN1EDNRB
SCHEMBL862540 0.92 CYP2C8 (0.40) CYP2C8PPARGKMT2AMAPTGAA
SCHEMBL862351 0.92 CYP2C8 (0.43) CYP2C8PPARGKMT2AMAPTKDM4E
SCHEMBL831903 0.91 CYP2C8 (0.45) CYP2C8PPARGKMT2AMAPTGAA
SCHEMBL831679 0.91 CYP2C8 (0.40) CYP2C8PPARGKMT2AMEN1ALDH1A1
SCHEMBL831532 0.89 CYP2C8 (0.47) CYP2C8KMT2AKDM4EALDH1A1SCN9A
SCHEMBL862206 0.87 CYP2C8 (0.43) CYP2C8PPARGKMT2AMAPTGAA
SCHEMBL862182 0.87 CYP2C8 (0.40) CYP2C8PPARGKMT2AMEN1EDNRB
SCHEMBL10257269 0.87 CYP2C8 (0.40) CYP2C8PPARGKMT2AMEN1SCN9A
SCHEMBL831250 0.87 PPARG (0.45) CYP2C8PPARGKMT2ASCN9A

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 847/4885PPARG 4093/4885KMT2A 321/4885

“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.