SCHEMBL696453

SCHEMBL696453

N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)CN2)CC1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.71
CTSL P07711 10/20 0.51

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
SCHEMBL697006 0.91 CTSS (0.62) CTSSCTSL
SCHEMBL8384085 0.91 CTSS (0.62) CTSSCTSL
SCHEMBL13148523 0.91 CTSS (0.62) CTSSCTSL
SCHEMBL695795 0.86 CTSS (0.78) CTSS
SCHEMBL694322 0.85 CTSS (0.77) CTSS
Hydrochloric Acid SCHEMBL695437 0.84 CTSS (0.75) CTSS
SCHEMBL695956 0.83 CTSS (1.00) CTSSCTSL
SCHEMBL696004 0.83 CTSS (1.00) CTSSCTSL
SCHEMBL3070456 0.83 CTSS (0.44) CTSSCTSL
Hydrochloric Acid SCHEMBL695373 0.82 CTSS (0.98) CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
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