SCHEMBL7805779

SCHEMBL7805779

CS(=O)(=O)C[C@H](N[C@@H](c1ccccc1)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
CTSL P07711 15/20 1.00
CTSS P25774 14/20 1.00
CTSB P07858 13/20 1.00
CTSK P43235 11/20 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
SCHEMBL13189925 0.91 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL1271525 0.91 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL3476615 0.90 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL3419367 0.90 CTSL (0.81) CTSLCTSSCTSBCTSK
SCHEMBL7808915 0.89 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL14330952 0.89 CTSL (0.84) CTSLCTSSCTSBCTSK
SCHEMBL7808952 0.88 CTSS (1.00) CTSLCTSSCTSBCTSK
SCHEMBL2821047 0.87 CTSL (0.89) CTSLCTSSCTSBCTSK
SCHEMBL2821048 0.87 CTSL (0.89) CTSLCTSSCTSBCTSK
SCHEMBL22059759 0.86 CTSS (0.78) CTSLCTSSCTSBCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723387-B1 CATHEPSIN-BINDING COMPOUND BOUND TO A LIPOSOME AND ITS DIAGNOSTIC AND THERAPEUTIC USE J STEFAN INST (SI) 2018-04-18 EP disclosed
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed