SCHEMBL9519206

SCHEMBL9519206

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.40
ITGA5 P08648 12/20 0.40
ITGB3 P05106 7/20 0.40
ITGAV P06756 7/20 0.40
ITGB5 P18084 5/20 0.40
ITGA2B P08514 3/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL9519482 0.90 POLB (0.40) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9520991 0.90 POLB (0.40) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9519952 0.88 POLB (0.41) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9795055 0.87 POLB (0.41) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL10713467 0.86 POLB (0.41) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9519289 0.86 POLB (0.41) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9519415 0.86 RAB9A (0.40) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9795011 0.85 POLB (0.40) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9519756 0.84 POLB (0.40) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL9369429 0.84 POLB (0.44) ITGB1ITGA5ITGB3ITGAVITGB5

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