SCHEMBL862453

SCHEMBL862453

CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.34
MAPT P10636 1/20 0.34
CHEK1 O14757 1/20 0.34
CDK1 P06493 1/20 0.34
WEE1 P30291 1/20 0.34
SCN9A Q15858 5/20 0.34
MCL1 Q07820 1/20 0.33
ACLY P53396 1/20 0.33
LMNA P02545 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
SCHEMBL10264002 0.93 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL831268 0.93 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL10256856 0.92 CYP2C8 (0.46) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL832081 0.92 CYP2C8 (0.44) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL832199 0.92 CYP2C8 (0.46) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL862253 0.91 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL10257280 0.91 CYP2C8 (0.48) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL862750 0.90 CYP2C8 (0.42) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL831554 0.90 CYP2C8 (0.47) CYP2C8PTGDR2KMT2AKDM4EALDH1A1
SCHEMBL862350 0.90 CYP2C8 (0.45) CYP2C8PTGDR2KMT2AKDM4EALDH1A1

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 847/4885PTGDR2 1609/4885KMT2A 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.