SCHEMBL25254584

SCHEMBL25254584

CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.68
CTSB P07858 3/20 0.68
CTSS P25774 2/20 0.68

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
SCHEMBL25295713 1.00 CTSL (0.68) CTSLCTSBCTSS
SCHEMBL7414175 0.89 CTSL (0.67) CTSLCTSBCTSS
SCHEMBL7414172 0.89 CTSL (0.67) CTSLCTSBCTSS
SCHEMBL23752592 0.85 CTSL (0.58) CTSLCTSBCTSS
SCHEMBL8691322 0.85 CTSL (0.62) CTSLCTSBCTSS
SCHEMBL8691324 0.85 CTSL (0.62) CTSLCTSBCTSS
K-777 SCHEMBL25247156 0.81 CTSL (1.00) CTSLCTSBCTSS
K-777 SCHEMBL6267778 0.81 CTSL (1.00) CTSLCTSBCTSS
K-777 SCHEMBL25290266 0.81 CTSL (1.00) CTSLCTSBCTSS
SCHEMBL7028122 0.79 CTSL (0.78) CTSLCTSBCTSS

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-20230301988-A1 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM 2023-09-28 US disclosed
EP-4203957-A2 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF The Texas A&M University System (US) 2023-07-05 EP disclosed
WO-2022047054-A2 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-03-03 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-20230301988-A1 INHIBITORS OF SARS COV-2 INFECTION AND USES THEREOF CTSV, ACE2, CTSL CTSL 3/4885CTSB 7/4885CTSS 5/4885

“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.