SCHEMBL24710074

SCHEMBL24710074

CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CTSB P07858 3/20 0.67
CTSS P25774 2/20 0.57
CAPN1 P07384 1/20 0.56
CTSK P43235 1/20 0.54
CTSF Q9UBX1 1/20 0.54

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
SCHEMBL24709751 0.95 CTSL (0.61) CTSLCTSBCTSSCAPN1
SCHEMBL23824444 0.88 CTSL (0.73) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL23824529 0.88 CTSL (0.73) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL24710073 0.86 CTSL (0.65) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL24709756 0.85 CTSL (0.64) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL24582575 0.84 CTSL (0.67) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL29609480 0.84 CTSL (0.68) CTSLCTSBCTSS
SCHEMBL24582719 0.82 CTSL (0.55) CTSLCTSBCTSS
SCHEMBL24709884 0.81 CTSL (0.59) CTSLCTSBCTSSCAPN1CTSK
SCHEMBL34468083 0.80 CTSL (0.64) CTSLCTSBCTSSCAPN1CTSK

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-11834408-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-12-05 US disclosed
US-20220396550-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2022-12-15 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 (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-11834408-B2 Compounds for the treatment of SARS ACE2, SARS1, ACE CTSL 70/4885CTSB 33/4885CTSS 39/4885
US-20220396550-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, SARS1, ACE CTSL 70/4885CTSB 33/4885CTSS 39/4885

“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.