SCHEMBL9520673

SCHEMBL9520673

CC(=O)S[C@H]1C[C@@H](COCCNC(N)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL9520274 0.93 DPP8 (0.42) ECE1DPP8DPP9ALDH1A1MAPT
SCHEMBL9519188 0.89 ECE1 (0.38) ECE1DPP8DPP9ALDH1A1MAPT
SCHEMBL9520558 0.88 ECE1 (0.40) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9519080 0.88 ECE1 (0.37) ECE1DPP8DPP9ALDH1A1MAPT
SCHEMBL9795009 0.87 ECE1 (0.43) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9519012 0.87 ECE1 (0.39) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9519631 0.86 DPP8 (0.40) DPP8DPP9ALDH1A1MAPTATM
SCHEMBL9794981 0.86 ECE1 (0.38) ECE1ALDH1A1MAPTATMHPGD
SCHEMBL9522365 0.85 ALDH1A1 (0.36) ECE1DPP8DPP9ALDH1A1MAPT
SCHEMBL9790262 0.85 DPP8 (0.35) DPP8DPP9ALDH1A1MAPTATM

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
EP-0272456-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-4822787-A 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid compounds and antimicrobial activity thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0272456-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed