SCHEMBL8026798

SCHEMBL8026798

O=C(O)CN(C(=O)C(CS)CCc1ccccc1)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39

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
SCHEMBL8024295 0.95 MME (0.37) ACE
SCHEMBL8023094 0.91 MMP1 (0.43) ACE
SCHEMBL8165378 0.89 ACE (0.47) ACE
SCHEMBL8167144 0.89 ACE (0.47) ACE
SCHEMBL8023170 0.85 FFAR1 (0.42) ACE
SCHEMBL8022583 0.84 FFAR1 (0.46)
SCHEMBL8459593 0.82 ACE (0.50) ACE
SCHEMBL8159707 0.82 ACE (0.50) ACE
SCHEMBL8171167 0.82 ACE (0.50) ACE
SCHEMBL8161868 0.81 ACE (0.41) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US claimed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO claimed
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US disclosed