SCHEMBL25222302

SCHEMBL25222302

CC(C)CC(NC(=O)O)C(=O)NC(C[C@@H]1CCNC1=O)C(=O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CAPN1 P07384 1/20 0.49
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CTSF Q9UBX1 1/20 0.47

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
SCHEMBL25222299 1.00 CTSL (0.52) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL25222304 1.00 CTSL (0.52) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL29063038 0.91 CTSL (0.48) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL19924845 0.88 CTSL (0.53) CTSLCTSBCAPN1
SCHEMBL19924846 0.88 CTSL (0.53) CTSLCTSBCAPN1
SCHEMBL19668587 0.86 CTSL (0.65) CTSLCTSBCAPN1
SCHEMBL21114837 0.86 CTSL (0.65) CTSLCTSBCAPN1
SCHEMBL19668590 0.86 CTSL (0.65) CTSLCTSBCAPN1
SCHEMBL30913988 0.85 CTSL (0.50) CTSLCTSBCTSK
SCHEMBL23883336 0.83 CTSL (0.49) CTSLCTSBCAPN1CTSSCTSK

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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 — — 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 CTSL 1031/4885CTSB 1058/4885CAPN1 787/4885

“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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