SCHEMBL9522440

SCHEMBL9522440

CS(=O)(=O)O[C@@H]1C[C@@H](COCC(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 2/20 0.37
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.34
PLA2G4B P0C869 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9519220 0.92 ALDH1A1 (0.37) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9795068 0.91 CCR5 (0.36) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9794953 0.91 ALDH1A1 (0.39) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9519224 0.89 ALDH1A1 (0.37) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9520276 0.89 ALDH1A1 (0.37) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9795094 0.89 ALDH1A1 (0.37) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL9519952 0.88 POLB (0.41)
SCHEMBL9795000 0.88 CCR5 (0.35) TDP1CCR5ALDH1A1MAPTHPGD
SCHEMBL9794987 0.87 ALDH1A1 (0.39) TDP1CCR5ALDH1A1ATMMAPT
SCHEMBL7805407 0.87 ALDH1A1 (0.41) TDP1CCR5ALDH1A1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
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-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4983596-A Microbiocides; for treatment of infectious diseases FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-08 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0341557-A1 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-15 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-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP 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