SCHEMBL7053651

SCHEMBL7053651

COC(=O)COc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCc2ccc(OC)cc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
PTPN1 P18031 4/20 0.51
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
BMP1 P13497 1/20 0.45
PTPN2 P17706 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MMP3 P08254 1/20 0.44
F2 P00734 3/20 0.43
TMPRSS6 Q8IU80 3/20 0.43
CAPN1 P07384 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43

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
SCHEMBL7155948 0.94 POLB (0.51) POLBPTPN1MMP2MMP9BMP1
SCHEMBL4650907 0.94 POLB (0.51) POLBPTPN1MMP2MMP9BMP1
SCHEMBL4651310 0.94 PTPN1 (0.57) POLBPTPN1MMP2MMP9BMP1
SCHEMBL4651215 0.86 PTPN1 (0.60) POLBPTPN1MMP2MMP9ALDH1A1
SCHEMBL4650871 0.84 PTPN1 (0.62) PTPN1MMP2MMP9BMP1ALDH1A1
SCHEMBL4650968 0.84 PTPN1 (0.62) PTPN1MMP2MMP9BMP1HSD17B10
SCHEMBL7053662 0.82 ALDH1A1 (0.47) POLBMMP2MMP9ALDH1A1SGMS1
SCHEMBL4650321 0.79 ALDH1A1 (0.49) PTPN1ALDH1A1HPGDHSD17B10
SCHEMBL4651374 0.79 PTPN1 (0.56) PTPN1ALDH1A1
SCHEMBL4650268 0.78 PTPN1 (0.58) PTPN1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO disclosed