SCHEMBL4865485

SCHEMBL4865485

O=C(NCCCCc1ccccc1)[C@H](Cc1cc[c]cc1)NS(=O)(=O)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
MMP2 P08253 3/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
F2 P00734 3/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
MMP9 P14780 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40

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
SCHEMBL4865492 1.00 NPY5R (0.45) NPY5RMMP2ADAMTS4MMP1MMP13
SCHEMBL3733223 0.85 PLAAT3 (0.47) NPY5RMMP2ADAMTS4MMP1MMP13
SCHEMBL3733225 0.85 PLAAT3 (0.47) NPY5RMMP2ADAMTS4MMP1MMP13
SCHEMBL3733229 0.84 SRC (0.43) NPY5RMMP2ADAMTS4MMP1MMP13
SCHEMBL4861466 0.83 NPY5R (0.47) NPY5RMMP2MMP9ITGAV
SCHEMBL4861471 0.83 NPY5R (0.47) NPY5RMMP2MMP9ITGAV
SCHEMBL4864003 0.83 BMP1 (0.56) NPY5RMMP2MMP1MMP13MMP9
SCHEMBL4864009 0.83 BMP1 (0.56) NPY5RMMP2MMP1MMP13MMP9
SCHEMBL4857259 0.81 NPY5R (0.62) NPY5RMMP2ADAMTS4PLAUMMP9
SCHEMBL4858174 0.81 MMP2 (0.56) NPY5RMMP2ADAMTS4ADAMTS5MMP9

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