SCHEMBL696556

SCHEMBL696556

CC(C)(C)OC(=O)N1C[C@H](S(=O)(=O)c2ccc(-n3ccccc3=O)cc2C(F)(F)F)C[C@H]1C(=O)N(C#N)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.41
AR P10275 3/20 0.39

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
SCHEMBL707038 0.87 CTSS (0.46) CTSS
SCHEMBL696265 0.87 CTSS (0.46) CTSS
SCHEMBL695503 0.86 CTSS (0.45) CTSSAR
SCHEMBL695949 0.86 CTSS (0.41) CTSS
SCHEMBL696102 0.86 CTSS (0.40) CTSSAR
SCHEMBL697004 0.85 CTSS (0.39) CTSSAR
SCHEMBL695640 0.85 CTSS (0.40) CTSSAR
SCHEMBL696992 0.85 GPR119 (0.40) CTSSAR
SCHEMBL696142 0.85 CTSS (0.38) CTSSAR
SCHEMBL695075 0.84 CTSS (0.46) 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 2 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 disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed