SCHEMBL831075

SCHEMBL831075

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2CCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.37
PPARG P37231 3/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
WEE1 P30291 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
BRD4 O60885 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.31
SCN5A Q14524 1/20 0.30
MAPT P10636 1/20 0.30
CCR2 P41597 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
SCHEMBL831090 0.93 KDM4E (0.33) SCN9AKDM4EALDH1A1GAACYP2C8
SCHEMBL831192 0.90 SCN9A (0.35) SCN9AKDM4EALDH1A1GAACYP2C8
SCHEMBL831172 0.88 SCN9A (0.36) SCN9APPARGCYP2C8CYP3A4RORC
SCHEMBL861889 0.83 CYP2C8 (0.43) SCN9APPARGKDM4EALDH1A1GAA
SCHEMBL862351 0.83 CYP2C8 (0.43) SCN9APPARGKDM4EALDH1A1CYP2C8
SCHEMBL10257269 0.82 CYP2C8 (0.40) SCN9APPARGCYP2C8CYP3A4KMT2A
SCHEMBL862182 0.82 CYP2C8 (0.40) SCN9APPARGCYP2C8KMT2A
SCHEMBL862540 0.82 CYP2C8 (0.40) SCN9APPARGKDM4EALDH1A1GAA
SCHEMBL832020 0.81 CYP2C8 (0.42) SCN9APPARGCYP2C8KMT2ASCN5A
SCHEMBL831574 0.81 KDM4E (0.41) SCN9AKDM4EALDH1A1GAACYP2C8

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 SCN9A 3807/4885PPARG 4093/4885KDM4E 1061/4885

“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.