SCHEMBL694002

SCHEMBL694002

CC(C)(C)OC(=O)N1C[C@H](S(=O)(=O)c2ccc(N3CCC(F)(F)C3)cc2Cl)C[C@H]1C(=O)N(C#N)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.41
CTSL P07711 9/20 0.41

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
SCHEMBL696732 0.92 CTSS (0.41) CTSS
SCHEMBL700242 0.84 CTSS (0.58) CTSSCTSL
SCHEMBL693999 0.84 CTSS (0.48) CTSSCTSL
SCHEMBL696428 0.84 CTSS (0.48) CTSSCTSL
SCHEMBL15173447 0.83 CTSL (0.44) CTSSCTSL
SCHEMBL696670 0.82 CTSS (0.51) CTSSCTSL
SCHEMBL694782 0.81 CTSS (0.52) CTSSCTSL
SCHEMBL695175 0.80 CTSS (0.55) CTSSCTSL
SCHEMBL695616 0.80 CTSS (0.59) CTSSCTSL
SCHEMBL696102 0.80 CTSS (0.40) CTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP claimed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO claimed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed