SCHEMBL29359214

SCHEMBL29359214

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 13/20 0.64
▸ CTSB P07858 5/20 0.64
▸ CTSS P25774 2/20 0.60
▸ CAPN1 P07384 2/20 0.60
▸ CTSL P07711 1/20 0.60

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
SCHEMBL11330116 1.00 CTSK (0.64) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL11338445 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL15926428 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL25251125 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL14148466 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL25285647 0.92 CTSK (0.65) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL9416814 0.89 ALDH1A1 (0.62) CTSKCTSBCTSSCAPN1CTSL
SCHEMBL14479029 0.89 CASP3 (0.55) CTSKCTSBCTSSCTSL
SCHEMBL22209445 0.89 CASP3 (0.55) CTSKCTSBCTSSCTSL
SCHEMBL4575868 0.89 CTSK (0.75) CTSKCTSBCTSSCAPN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212116-A1 SARS-COV-2 MAIN PROTEASE INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM 2023-07-06 — — US disclosed
US-20220259145-A1 SARS-COV-2 MAIN PROTEASE INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM 2022-08-18 — — US disclosed
WO-2022020711-A1 SARS-COV-2 MAIN PROTEASE INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-01-27 — — 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 (2 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-20220259145-A1 SARS-COV-2 MAIN PROTEASE INHIBITORS ACE2, ACE, TMPRSS2 CTSK 63/4885CTSB 27/4885CTSS 28/4885
US-20230212116-A1 SARS-COV-2 MAIN PROTEASE INHIBITORS ACE2, ACE, TMPRSS2 CTSK 63/4885CTSB 27/4885CTSS 28/4885

“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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