SCHEMBL2937017

SCHEMBL2937017

N[C@@H](Cc1ccccc1)Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C1CN(c2ccc(C[C@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.44
PTPN2 P17706 1/20 0.42
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
F2 P00734 2/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
ITGAV P06756 1/20 0.31
AVPR1A P37288 1/20 0.30

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
SCHEMBL3213269 0.96 PTPN1 (0.47) PTPN1PTPN2SLC1A3SLC1A2SLC1A1
SCHEMBL2930300 0.96 PTPN1 (0.47) PTPN1PTPN2SLC1A3SLC1A2SLC1A1
SCHEMBL3224034 0.88 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL2930456 0.86 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL4781431 0.82 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL3224718 0.80 PTPN1 (0.49) PTPN1PTPN2CA1CA2MMP1
SCHEMBL3208641 0.79 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL2930264 0.78 PTPN1 (0.48) PTPN1PTPN2CA1CA2MMP1
SCHEMBL3210005 0.78 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL646413 0.76 PTPN1 (0.56) PTPN1PTPN2

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed