SCHEMBL24199879

SCHEMBL24199879

CC(C)(F)C[C@H](NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NCC#CBr

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 11/20 0.79
CTSL P07711 10/20 0.79
CTSF Q9UBX1 8/20 0.79
CTSK P43235 13/20 0.68
CTSS P25774 4/20 0.64
CTSV O60911 1/20 0.64

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
SCHEMBL22733952 1.00 CTSB (0.79) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733949 1.00 CTSB (0.79) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733950 1.00 CTSB (0.79) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733935 0.88 CTSB (1.00) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733995 0.88 CTSB (0.81) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733992 0.88 CTSB (0.81) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733994 0.88 CTSB (0.81) CTSBCTSLCTSFCTSKCTSS
SCHEMBL22733937 0.88 CTSB (1.00) CTSBCTSLCTSFCTSKCTSS
SCHEMBL2156015 0.88 CTSB (1.00) CTSBCTSLCTSFCTSKCTSS
SCHEMBL3757063 0.84 CTSB (0.75) CTSBCTSLCTSFCTSKCTSS

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-3720840-B1 CATHEPSIN INHIBITORS ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2022-01-19 EP disclosed