SCHEMBL4864934

SCHEMBL4864934

O=C(NCCCOc1ccc(Cl)cc1)[C@H](Cc1cc[c]cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
MAPK1 P28482 1/20 0.45
MMP9 P14780 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPY5R Q15761 1/20 0.43
BMP1 P13497 3/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 1/20 0.42
AVPR1A P37288 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42

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
SCHEMBL4864939 1.00 MMP2 (0.49) MMP2ADAMTS5ITGB3ITGA2BMAPK1
SCHEMBL4866783 0.93 ITGB3 (0.49) MMP2ITGB3ITGA2BMAPK1MMP9
SCHEMBL4866780 0.93 ITGB3 (0.49) MMP2ITGB3ITGA2BMAPK1MMP9
SCHEMBL5499234 0.90 CTSL (0.49) MMP2ADAMTS5ITGB3ITGA2BMAPK1
SCHEMBL5499235 0.90 CTSL (0.49) MMP2ADAMTS5ITGB3ITGA2BMAPK1
SCHEMBL4858174 0.85 MMP2 (0.56) MMP2ADAMTS5MMP9ALDH1A1MAPT
SCHEMBL4858181 0.85 MMP2 (0.56) MMP2ADAMTS5MMP9ALDH1A1MAPT
SCHEMBL3738168 0.83 ITGB3 (0.47) MMP2ADAMTS5ITGB3ITGA2BMAPK1
SCHEMBL3738167 0.83 ITGB3 (0.47) MMP2ADAMTS5ITGB3ITGA2BMAPK1
SCHEMBL3738170 0.83 ITGB3 (0.46) MMP2ADAMTS5ITGB3ITGA2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed