SCHEMBL3421923

SCHEMBL3421923

CC1(NC(=O)[C@H](CS(C)(=O)=O)N[C@@H](c2ccc(-c3ccc([C@@H](O)C(F)F)cc3)cc2)C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.61
CTSS P25774 11/20 0.61
CTSB P07858 10/20 0.61
CTSL P07711 12/20 0.56
CTSF Q9UBX1 2/20 0.48
CTSV O60911 1/20 0.48

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
SCHEMBL2132971 0.87 CTSK (0.81) CTSKCTSSCTSBCTSLCTSF
SCHEMBL16020393 0.77 CTSK (0.60) CTSKCTSSCTSBCTSLCTSF
SCHEMBL17615416 0.77 CTSK (0.76) CTSKCTSSCTSBCTSLCTSF
SCHEMBL11981450 0.76 CTSK (0.76) CTSKCTSSCTSBCTSLCTSF
SCHEMBL11981448 0.76 CTSK (0.76) CTSKCTSSCTSBCTSLCTSF
SCHEMBL7808952 0.76 CTSS (1.00) CTSKCTSSCTSBCTSLCTSF
SCHEMBL3417549 0.76 CTSS (0.82) CTSKCTSSCTSBCTSLCTSF
SCHEMBL7807933 0.75 CTSS (0.74) CTSKCTSSCTSBCTSL
SCHEMBL15977393 0.74 CTSK (0.61) CTSKCTSSCTSBCTSLCTSF
SCHEMBL3417951 0.74 CTSS (0.67) CTSKCTSSCTSBCTSL

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 CTSK 14/4885CTSS 2/4885CTSB 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.