SCHEMBL2129089

SCHEMBL2129089

CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)N[C@H](C#N)CC(=O)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 16/20 0.78
CTSB P07858 11/20 0.78
CTSF Q9UBX1 8/20 0.78
CTSK P43235 7/20 0.78
CTSS P25774 6/20 0.78

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
SCHEMBL4426232 0.88 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL4203877 0.88 CTSL (0.64) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2129239 0.87 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2130639 0.84 CTSL (0.77) CTSLCTSBCTSFCTSKCTSS
SCHEMBL4203881 0.83 CTSL (0.64) CTSLCTSBCTSFCTSKCTSS
SCHEMBL4433974 0.83 CTSL (0.79) CTSLCTSBCTSFCTSKCTSS
SCHEMBL4430743 0.82 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3771497 0.81 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL3771491 0.81 CTSL (1.00) CTSLCTSBCTSFCTSKCTSS
SCHEMBL2157224 0.81 CTSK (0.81) CTSLCTSBCTSFCTSKCTSS

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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES CTSL, CTSS, CTSZ CTSL 1/4885CTSB 5/4885CTSF 7/4885

“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.