SCHEMBL7808952

SCHEMBL7808952

CS(=O)(=O)C[C@H](N[C@@H](c1ccc(-c2ccc(F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 1.00
CTSB P07858 14/20 1.00
CTSK P43235 12/20 1.00
CTSL P07711 14/20 0.94
CTSV O60911 1/20 0.68
CTSF Q9UBX1 1/20 0.68

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
SCHEMBL1271525 0.97 CTSS (1.00) CTSSCTSBCTSKCTSL
SCHEMBL13189925 0.97 CTSS (1.00) CTSSCTSBCTSKCTSL
SCHEMBL7809887 0.93 CTSS (0.86) CTSSCTSBCTSKCTSLCTSV
SCHEMBL3417549 0.90 CTSS (0.82) CTSSCTSBCTSKCTSLCTSV
SCHEMBL2132971 0.90 CTSK (0.81) CTSSCTSBCTSKCTSLCTSV
SCHEMBL1271598 0.88 CTSS (0.85) CTSSCTSBCTSKCTSL
SCHEMBL3476615 0.88 CTSS (1.00) CTSSCTSBCTSKCTSLCTSV
SCHEMBL7805779 0.88 CTSL (1.00) CTSSCTSBCTSKCTSL
SCHEMBL1272473 0.87 CTSS (0.82) CTSSCTSBCTSKCTSLCTSV
SCHEMBL1272475 0.87 CTSS (0.82) CTSSCTSBCTSKCTSLCTSV

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
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed