SCHEMBL29326210

SCHEMBL29326210

O=c1[nH]c2cc(-c3ccccc3OCc3ccccc3)sc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HIF1A Q16665 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
C5AR1 P21730 1/20 0.36
SRD5A2 P31213 1/20 0.36
PTGER1 P34995 2/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PRKDC P78527 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PIK3CG P48736 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL27377466 0.89 IDO1 (0.36) ERCC5FEN1HIF1ASRD5A2PTGER1
SCHEMBL29326304 0.83 MCL1 (0.43) FEN1HIF1AMRGPRX4PTGER1CTSV
SCHEMBL29326209 0.81 ALDH1A1 (0.41) ERCC5FEN1KDM4EALDH1A1ADRA1B
SCHEMBL29326166 0.81 ERCC5 (0.60) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326188 0.80 CYP1A1 (0.53) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326183 0.80 ERCC5 (0.43) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326162 0.80 CYP1A1 (0.53) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326663 0.80 HSD17B10 (0.41) ERCC5FEN1HIF1AKDM4EALDH1A1
SCHEMBL29326216 0.78 ERCC5 (0.39) ERCC5FEN1KDM4EALDH1A1LMNA
SCHEMBL29326219 0.78 ERCC5 (0.42) ERCC5FEN1DHODHKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ERCC5 2042/4885FEN1 1012/4885HIF1A 2905/4885

“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.