SCHEMBL2931651

SCHEMBL2931651

CNC(=O)c1ccc(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)cc1.NC(=O)c1ccc(CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.46
PLK1 P53350 3/20 0.38
PTPN2 P17706 5/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
DHODH Q02127 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL3213493 0.95 PTPN1 (0.49) PTPN1PLK1PTPN2HDAC1HDAC8
SCHEMBL3226418 0.92 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL2935247 0.90 PTPN1 (0.48) PTPN1PTPN2HDAC8HDAC6DHODH
SCHEMBL3204816 0.86 PTPN1 (0.51) PTPN1PTPN2HDAC8HDAC6DHODH
SCHEMBL3221761 0.83 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL2935200 0.81 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL649370 0.80 PTPN1 (0.54) PTPN1HDAC8HDAC6
SCHEMBL3214274 0.80 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL3217842 0.79 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL2928483 0.79 PTPN1 (0.51) 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 3 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
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed