SCHEMBL9520780

SCHEMBL9520780

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
CCR5 P51681 2/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 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
SCHEMBL9519366 0.93 DPP8 (0.42) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9522357 0.90 CYP19A1 (0.36) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9520276 0.89 ALDH1A1 (0.37) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL9519224 0.88 ALDH1A1 (0.37) MAPTALDH1A1HPGDCCR5TDP1
SCHEMBL9519415 0.88 RAB9A (0.40) MAPTRAB9ACYP3A4CYP2C9TSHR
SCHEMBL9795094 0.88 ALDH1A1 (0.37) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL9519220 0.88 ALDH1A1 (0.37) MAPTRAB9AALDH1A1HPGDNPC1
SCHEMBL9794987 0.86 ALDH1A1 (0.39) MAPTALDH1A1HPGDCCR5TDP1
SCHEMBL9519853 0.86 ALDH1A1 (0.36) DPP8DPP9MAPTRAB9ACYP3A4
SCHEMBL9519631 0.86 DPP8 (0.40) DPP8DPP9MAPTRAB9AALDH1A1

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