SCHEMBL29326735

SCHEMBL29326735

CS(=O)(=O)c1cncc(-c2cccc(Cl)c2-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.36
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
PTGES O14684 5/20 0.36
CYP2C9 P11712 3/20 0.36
FASN P49327 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCD O00767 1/20 0.35
NPEPPS P55786 1/20 0.35
RIPK2 O43353 1/20 0.34
ACVR1 Q04771 1/20 0.34
NOD2 Q9HC29 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
GAA P10253 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL29326720 0.88 PTGES (0.39) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL27380084 0.88 FASN (0.40) KDM4EHTTPTGS2PTGESCYP2C9
SCHEMBL29326749 0.87 PTGES (0.41) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326738 0.86 ITGA4 (0.40) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326721 0.86 PKM (0.41) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326689 0.85 PTGES (0.48) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326753 0.85 BTK (0.43) KDM4EHTTTNKS2
SCHEMBL29326746 0.85 PTGES (0.38) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326680 0.84 BTK (0.39) KDM4EHTTITGA4ITGB7PTGES
SCHEMBL29326451 0.83 KDM4E (0.45) KDM4EHTTITGA4ITGB7PTGES

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 KDM4E 3744/4885HTT 3577/4885PTGS2 381/4885

“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.