SCHEMBL9519756

SCHEMBL9519756

CS(=O)(=O)O[C@@H]1C[C@@H](COCCN)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTR2C P28335 1/20 0.39
BDKRB2 P30411 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HCRTR2 O43614 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL9794952 0.92 POLB (0.40) POLBHTR2CBDKRB2PDK1PDK2
SCHEMBL9795020 0.91 POLB (0.41) POLBHTR2CPDK1PDK2PDK3
SCHEMBL9519482 0.88 POLB (0.40) POLBHTR2CBDKRB2PDK1PDK2
SCHEMBL9520991 0.88 POLB (0.40) POLBHTR2CBDKRB2PDK1PDK2
SCHEMBL9519952 0.88 POLB (0.41) POLBHTR2CPDK1PDK2PDK3
SCHEMBL9519415 0.88 RAB9A (0.40) POLBHTR2CPDK1PDK2PDK3
SCHEMBL9369429 0.88 POLB (0.44) POLBHTR2CPDK1PDK2PDK3
SCHEMBL9369434 0.88 POLB (0.44) POLBHTR2CPDK1PDK2PDK3
SCHEMBL9520276 0.87 ALDH1A1 (0.37) RAB9AMAPTNPC1
SCHEMBL9795055 0.87 POLB (0.41) POLBHTR2CPDK1PDK2PDK3

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