SCHEMBL30008738

SCHEMBL30008738

O=C(O)N[C@H]1CCC2SC[C@@H](C(=O)Cl)N2C1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.41
ACE P12821 6/20 0.40
APP P05067 1/20 0.38
MME P08473 1/20 0.38
F2 P00734 3/20 0.38
F10 P00742 1/20 0.38
XIAP P98170 1/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL6063191 0.77 PREP (0.41) ACEF2F10PLGPRSS1
SCHEMBL6062550 0.77 PREP (0.41) ACEF2F10PLGPRSS1
SCHEMBL6062543 0.77 PREP (0.41) ACEF2F10PLGPRSS1
SCHEMBL12495203 0.72 ACE (0.53) CASP3ACEAPPMMEXIAP
SCHEMBL12494394 0.72 ACE (0.53) CASP3ACEAPPMMEXIAP
SCHEMBL13259950 0.72 CASP3 (0.46) CASP3ACEAPPMME
SCHEMBL3732821 0.72 CASP3 (0.46) CASP3ACEAPPMME
SCHEMBL3802782 0.72 XIAP (0.54) ACEAPPMMEXIAP
SCHEMBL12766048 0.71 ACE (0.37) CASP3ACEF2F10XIAP
SCHEMBL10132024 0.71 ACE (0.37) CASP3ACEF2F10XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2024-11-19 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
EP-4161902-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-04-12 EP disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 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 (3 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-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CASP3 26/4885ACE 77/4885APP 835/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CASP3 26/4885ACE 77/4885APP 835/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CASP3 39/4885ACE 81/4885APP 715/4885

“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.