SCHEMBL7811567

SCHEMBL7811567

COc1ccc(COC(=O)N2C[C@H](OS(C)(=O)=O)C[C@H]2CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX4 Q99571 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SPHK2 Q9NRA0 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 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
SCHEMBL7806807 0.91 USP2 (0.43) PKMHTTSMN1; SMN2MMP1MMP3
SCHEMBL9372895 0.88 POLB (0.45) SMN1; SMN2NPSR1
SCHEMBL9372898 0.88 POLB (0.45) SMN1; SMN2NPSR1
SCHEMBL7809178 0.86 CA12 (0.39) PKMHTTSMN1; SMN2P2RX4MMP1
SCHEMBL7805407 0.85 ALDH1A1 (0.41) HTTALDH1A1HPGD
SCHEMBL7800328 0.84 POLB (0.44) PKMHTTSMN1; SMN2P2RX4MMP1
SCHEMBL7805540 0.84 MMP2 (0.50) PKMHTTSMN1; SMN2P2RX4MMP1
SCHEMBL9428692 0.84 MMP2 (0.50) PKMHTTSMN1; SMN2P2RX4MMP1
SCHEMBL7805526 0.84 CASP3 (0.41) HTTP2RX4MMP1MMP3MMP7
SCHEMBL116032 0.83 BDKRB2 (0.47) P2RX4MMP1MMP3MMP7MMP9

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-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed