SCHEMBL5575176

SCHEMBL5575176

[2H]C1([2H])C(=O)[C@@]([2H])(NC(=O)[CH]CC(C)C(N)=O)CCCN1S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.40
PKM P14618 1/20 0.32

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
SCHEMBL6593103 0.94 CTSK (0.40) CTSKPKM
SCHEMBL7203487 0.94 CTSK (0.40) CTSKPKM
SCHEMBL5096677 0.85 CTSK (0.52) CTSKPKM
SCHEMBL4687353 0.85 CTSK (0.52) CTSKPKM
SCHEMBL6899315 0.85 CTSK (0.41) CTSKPKM
SCHEMBL7249434 0.82 CTSK (0.42) CTSK
SCHEMBL4687256 0.82 CTSK (0.38) CTSKPKM
SCHEMBL5949076 0.77 CTSK (0.33) CTSKPKM
SCHEMBL4686403 0.77 CTSK (0.54) CTSKPKM
SCHEMBL4315397 0.76 CTSK (0.38) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596715-B1 Pharmaceutically acceptable salt, hydrate or solvate thereof, which is an inhibitor of cysteine proteases, particularly cathepsin K, and is useful in the treatment of diseases in which inhibition of bone loss or of cartilage degradation is a SMITHKLINE BEECHAM CORPORATION 2003-07-22 US claimed
US-20070003522-A1 Methods and compositions for improved retroviral gene and drug delivery NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-04 US disclosed
US-6596715-B1 Pharmaceutically acceptable salt, hydrate or solvate thereof, which is an inhibitor of cysteine proteases, particularly cathepsin K, and is useful in the treatment of diseases in which inhibition of bone loss or of cartilage degradation is a SMITHKLINE BEECHAM CORPORATION 2003-07-22 US disclosed