SCHEMBL2935247

SCHEMBL2935247

CNC(=O)c1cccc(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1.NC(=O)c1cccc(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.48
DHODH Q02127 1/20 0.39
SLC7A5 Q01650 2/20 0.37
IDH1 O75874 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
P2RX4 Q99571 1/20 0.33
PTPN2 P17706 1/20 0.33
FEN1 P39748 1/20 0.33
PARP1 P09874 1/20 0.33
MEP1B Q16820 1/20 0.33

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
SCHEMBL3204816 0.95 PTPN1 (0.51) PTPN1DHODHSLC7A5HDAC8HDAC6
SCHEMBL3221761 0.92 PTPN1 (0.49) PTPN1IDH1P2RX4PTPN2PARP1
SCHEMBL647257 0.91 PTPN1 (0.54) PTPN1SLC7A5HDAC8HDAC6FEN1
SCHEMBL2931651 0.90 PTPN1 (0.46) PTPN1DHODHHDAC8HDAC6PTPN2
SCHEMBL649370 0.90 PTPN1 (0.54) PTPN1SLC7A5HDAC8HDAC6FEN1
SCHEMBL3213493 0.86 PTPN1 (0.49) PTPN1HDAC8HDAC6PTPN2
SCHEMBL3212662 0.83 PTPN1 (0.50) PTPN1DHODHKMT2APTPN2MEP1B
SCHEMBL3226418 0.83 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL2936949 0.82 PTPN1 (0.49) PTPN1PTPN2PARP1
SCHEMBL647839 0.81 PTPN1 (0.57) PTPN1SLC7A5PTPN2PARP1

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 4 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
EP-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 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
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed