SCHEMBL9519220

SCHEMBL9519220

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR5 P51681 2/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 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
SCHEMBL9522440 0.92 TDP1 (0.38) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9794953 0.90 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9795068 0.90 CCR5 (0.36) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9520276 0.90 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL9519224 0.89 ALDH1A1 (0.37) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9795094 0.88 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL9520780 0.88 DPP8 (0.36) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL9520991 0.87 POLB (0.40) RAB9AMAPT
SCHEMBL9519482 0.87 POLB (0.40) RAB9AMAPT
SCHEMBL9795000 0.87 CCR5 (0.35) ALDH1A1MAPTHPGDTDP1CCR5

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 7 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-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US 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