SCHEMBL7444909

SCHEMBL7444909

CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@](C)(NC(=O)OCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.54
CTSS P25774 13/20 0.54
CTSB P07858 6/20 0.54
CTSL P07711 14/20 0.54
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7444730 0.87 CTSK (0.55) CTSKCTSSCTSBCTSL
SCHEMBL7441352 0.85 CTSK (0.54) CTSKCTSSCTSBCTSL
SCHEMBL7445335 0.84 CTSK (0.56) CTSKCTSSCTSBCTSLMEN1
SCHEMBL7447700 0.81 CTSK (0.56) CTSKCTSSCTSBCTSL
SCHEMBL7159027 0.79 CTSK (0.62) CTSKCTSSCTSBCTSL
SCHEMBL8602883 0.78 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL10802809 0.78 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL10757111 0.78 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL10757103 0.78 CTSK (0.73) CTSKCTSSCTSBCTSL
SCHEMBL7026587 0.78 CTSK (0.73) CTSKCTSSCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed