SCHEMBL15327435

SCHEMBL15327435

Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C[C@@H]2OC(=O)NC2(C#N)CC2)n(C2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.52
CTSL P07711 16/20 0.52
CTSK P43235 1/20 0.42

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
SCHEMBL15327207 0.94 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL696432 0.91 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL695203 0.91 CTSS (0.60) CTSSCTSLCTSK
SCHEMBL15327133 0.88 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL15327482 0.88 CTSS (0.48) CTSSCTSLCTSK
SCHEMBL15327396 0.87 CTSS (0.53) CTSSCTSL
SCHEMBL15327405 0.86 CTSS (0.49) CTSSCTSLCTSK
SCHEMBL15327639 0.86 CTSS (0.47) CTSSCTSLCTSK
SCHEMBL701451 0.85 CTSS (0.61) CTSSCTSLCTSK
SCHEMBL15327284 0.85 CTSS (0.49) CTSSCTSLCTSK

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