SCHEMBL7808915

SCHEMBL7808915

CS(=O)(=O)C[C@H](N[C@@H](c1cccc(F)c1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 1.00
CTSB P07858 15/20 1.00
CTSL P07711 15/20 1.00
CTSK P43235 12/20 1.00

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
SCHEMBL3418942 0.91 CTSS (0.83) CTSSCTSBCTSLCTSK
SCHEMBL7805779 0.89 CTSL (1.00) CTSSCTSBCTSLCTSK
SCHEMBL13189925 0.88 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1271525 0.88 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL1273164 0.87 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL1273163 0.87 CTSS (0.82) CTSSCTSBCTSLCTSK
SCHEMBL7808952 0.86 CTSS (1.00) CTSSCTSBCTSLCTSK
SCHEMBL7801028 0.85 CTSS (0.74) CTSSCTSBCTSLCTSK
SCHEMBL7806062 0.84 CTSS (0.72) CTSSCTSBCTSLCTSK
SCHEMBL3476615 0.83 CTSS (1.00) CTSSCTSBCTSLCTSK

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