SCHEMBL8098379

SCHEMBL8098379

COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.47
ANPEP P15144 4/20 0.47
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL14367126 0.80 MMP2 (0.46) MMP2ANPEPCA12CA1CA2
SCHEMBL27640305 0.78 ALDH1A1 (0.47) MMP2ANPEPALDH1A1KMT2A
SCHEMBL8342433 0.78 ALDH1A1 (0.47) MMP2ANPEPALDH1A1KMT2A
SCHEMBL8107792 0.78 ALDH1A1 (0.47) MMP2ANPEPALDH1A1KMT2A
SCHEMBL3476452 0.78 MMP2 (0.53) MMP2ANPEPCA12CA1CA2
SCHEMBL14367083 0.75 MMP2 (0.43) MMP2ANPEPCA12CA1CA2
SCHEMBL8098466 0.73 MMP2 (0.33) MMP2ANPEP
SCHEMBL21702575 0.73 MMP2 (0.49) MMP2ANPEPCA12CA1CA2
SCHEMBL5691732 0.72 MMP2 (0.48) MMP2ANPEPALDH1A1
SCHEMBL14938109 0.72 MMP2 (0.51) MMP2ANPEPCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed