SCHEMBL8522309

SCHEMBL8522309

CC(S)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.76
MME P08473 9/20 0.76
CPA1 P15085 3/20 0.76
ACE2 Q9BYF1 3/20 0.76
FOLH1 Q04609 1/20 0.63

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
SCHEMBL7616915 0.88 MME (0.68) ACEMMECPA1ACE2FOLH1
SCHEMBL10174603 0.88 MME (0.86) ACEMMECPA1ACE2
SCHEMBL6465852 0.88 MME (0.68) ACEMMECPA1ACE2FOLH1
SCHEMBL4572624 0.86 MME (0.67) ACEMMECPA1ACE2FOLH1
SCHEMBL10425350 0.86 MME (0.67) ACEMMECPA1ACE2FOLH1
SCHEMBL24821176 0.86 MME (0.67) ACEMMECPA1ACE2FOLH1
SCHEMBL6163836 0.85 MME (0.70) ACEMMECPA1ACE2FOLH1
SCHEMBL16481670 0.85 ACE (0.65) ACEMMECPA1ACE2FOLH1
SCHEMBL2545591 0.85 ACE (0.65) ACEMMECPA1ACE2FOLH1
SCHEMBL4073351 0.85 ACE (0.65) ACEMMECPA1ACE2FOLH1

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-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP claimed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO claimed