SCHEMBL15327464

SCHEMBL15327464

CCc1ccccc1S(=O)(=O)[C@H]1CN[C@@H](OC(=O)NC2(C#N)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.51
CTSL P07711 7/20 0.44
CTSB P07858 4/20 0.44
CTSK P43235 1/20 0.38

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
SCHEMBL15327291 0.93 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL15327327 0.87 CTSS (0.56) CTSSCTSLCTSB
SCHEMBL15327402 0.84 CTSS (0.72) CTSSCTSLCTSB
SCHEMBL15327339 0.84 CTSS (0.72) CTSSCTSLCTSB
SCHEMBL694339 0.83 CTSS (0.71) CTSSCTSLCTSB
SCHEMBL15327213 0.83 CTSS (0.52) CTSSCTSLCTSB
SCHEMBL15327348 0.83 CTSS (0.49) CTSSCTSLCTSB
Hydrochloric Acid SCHEMBL695237 0.83 CTSS (0.70) CTSSCTSLCTSB
SCHEMBL15327430 0.82 CTSS (0.47) CTSSCTSLCTSB
SCHEMBL15327311 0.82 CTSS (0.52) CTSSCTSLCTSB

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed