SCHEMBL27377461

SCHEMBL27377461

O=c1[nH]c2cc(-c3ccccc3C3CC3)sc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CYP11B1 P15538 8/20 0.34
▸ CYP11B2 P19099 7/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ NPEPPS P55786 1/20 0.33
▸ ADRA1B P35368 1/20 0.32
▸ USP1 O94782 1/20 0.31

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
SCHEMBL29326204 0.89 ERCC5 (0.40) ERCC5FEN1NPEPPSADRA1B
SCHEMBL27380824 0.85 KDM4E (0.34) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27192316 0.85 CYP1A1 (0.44) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377359 0.85 CYP1A1 (0.44) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377355 0.85 HAVCR2 (0.38) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377733 0.83 NPEPPS (0.38) FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27192298 0.83 SLC22A12 (0.38) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377344 0.82 ERCC5 (0.54) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377352 0.82 ERCC5 (0.36) ERCC5FEN1CYP11B1CYP11B2NPEPPS
SCHEMBL27377591 0.81 ERCC5 (0.38) ERCC5FEN1CYP11B1CYP11B2NPEPPS

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO 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 1012/4885CYP11B1 3367/4885

“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.

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