SCHEMBL24199833

SCHEMBL24199833

C#CCNC(=O)[C@H](CC(C)(C)F)N[C@@H](c1ccc(-c2ccc(SC)cc2)cc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 14/20 0.63
CTSL P07711 13/20 0.63
CTSK P43235 12/20 0.63
CTSS P25774 6/20 0.63
CTSF Q9UBX1 8/20 0.59
CTSV O60911 1/20 0.48

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
SCHEMBL24199878 0.90 CTSL (0.78) CTSBCTSLCTSKCTSSCTSF
SCHEMBL2948347 0.87 CTSB (0.60) CTSBCTSLCTSKCTSSCTSF
SCHEMBL2948349 0.87 CTSB (0.60) CTSBCTSLCTSKCTSSCTSF
SCHEMBL22733992 0.84 CTSB (0.81) CTSBCTSLCTSKCTSSCTSF
SCHEMBL22733995 0.84 CTSB (0.81) CTSBCTSLCTSKCTSSCTSF
SCHEMBL22733994 0.84 CTSB (0.81) CTSBCTSLCTSKCTSSCTSF
SCHEMBL2155860 0.83 CTSL (0.78) CTSBCTSLCTSKCTSSCTSF
SCHEMBL24199830 0.83 CTSK (0.64) CTSBCTSLCTSKCTSSCTSF
SCHEMBL24199737 0.79 CTSK (0.78) CTSBCTSLCTSKCTSSCTSF
SCHEMBL2155514 0.79 CTSK (0.78) CTSBCTSLCTSKCTSSCTSF

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