SCHEMBL4857259

SCHEMBL4857259

Cc1ccc(S(=O)(=O)N[C@@H](Cc2cc[c]cc2)C(=O)NCCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.62
MMP9 P14780 5/20 0.50
MMP2 P08253 5/20 0.50
PSMB8 P28062 3/20 0.49
PSMB5 P28074 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADAMTS4 O75173 1/20 0.47
LMNA P02545 1/20 0.47
CTSL P07711 1/20 0.47
RAB9A P51151 1/20 0.47
PLAU P00749 1/20 0.46
HPN P05981 1/20 0.46

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
SCHEMBL4857262 1.00 NPY5R (0.62) NPY5RMMP9MMP2PSMB8PSMB5
SCHEMBL4858181 0.90 MMP2 (0.56) NPY5RMMP9MMP2ALDH1A1MAPT
SCHEMBL4858174 0.90 MMP2 (0.56) NPY5RMMP9MMP2ALDH1A1MAPT
SCHEMBL4864003 0.90 BMP1 (0.56) NPY5RMMP9MMP2ALDH1A1
SCHEMBL4864009 0.90 BMP1 (0.56) NPY5RMMP9MMP2ALDH1A1
SCHEMBL4861466 0.84 NPY5R (0.47) NPY5RMMP9MMP2
SCHEMBL4861471 0.84 NPY5R (0.47) NPY5RMMP9MMP2
SCHEMBL4864202 0.84 KMT2A (0.49) NPY5RALDH1A1MAPT
SCHEMBL4864204 0.84 KMT2A (0.49) NPY5RALDH1A1MAPT
SCHEMBL4866880 0.83 KMT2A (0.45) NPY5RALDH1A1

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