SCHEMBL5494426

SCHEMBL5494426

C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1.C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.91
CTSK P43235 17/20 0.84
CTSL P07711 14/20 0.81

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
SCHEMBL5494424 1.00 CTSS (0.91) CTSSCTSKCTSL
SCHEMBL3018612 0.95 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3018606 0.95 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3018609 0.95 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020641 0.92 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020639 0.92 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3020642 0.92 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3018165 0.89 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3018173 0.89 CTSS (1.00) CTSSCTSKCTSL
SCHEMBL3018170 0.89 CTSS (1.00) CTSSCTSKCTSL

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-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
JP-2007502836-A 2007-02-15 JP claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed