SCHEMBL8167151

SCHEMBL8167151

O=C(O)CN(C(=O)C(CS)Cc1ccccc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.49
FOLH1 Q04609 1/20 0.49
MME P08473 7/20 0.45
ACE P12821 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
ECE1 P42892 1/20 0.45
BLM P54132 1/20 0.45
NPEPPS P55786 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL8165838 0.81 CPA3 (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8170548 0.81 CPA3 (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8166520 0.81 CPA3 (0.57) CPA3FOLH1MMEACEALDH1A1
SCHEMBL6209101 0.79 CPA3 (0.51) CPA3FOLH1MMEACEALDH1A1
SCHEMBL6209106 0.79 CPA3 (0.51) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8160786 0.76 CPA3 (0.50) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8166093 0.76 CPA3 (0.50) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8020817 0.74 MME (0.50) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8021600 0.74 FOLH1 (0.48) CPA3FOLH1MMEACEALDH1A1
SCHEMBL8160577 0.73 CPA3 (0.47) CPA3FOLH1MMEACEALDH1A1

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
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
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
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed