SCHEMBL24199737

SCHEMBL24199737

CSc1ccc(-c2ccc(C(NC(CC(C)(C)F)C(=O)NC3(C#N)CC3)C(F)(F)F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.78
CTSL P07711 5/20 0.75
CTSB P07858 3/20 0.75
CTSS P25774 3/20 0.75
CTSV O60911 1/20 0.75
CTSF Q9UBX1 1/20 0.75

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
SCHEMBL2155514 1.00 CTSK (0.78) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2156458 0.94 CTSK (0.69) CTSKCTSLCTSBCTSSCTSV
SCHEMBL5742250 0.91 CTSK (0.85) CTSKCTSLCTSBCTSSCTSV
SCHEMBL24199830 0.91 CTSK (0.64) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4992553 0.89 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2156489 0.89 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2155588 0.89 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL12679265 0.89 CTSK (0.73) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4986789 0.89 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2155710 0.89 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV

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