SCHEMBL2937494

SCHEMBL2937494

NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C1CC[C@@H](Cc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)N1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.42
PTPN2 P17706 13/20 0.37
CXCR4 P61073 1/20 0.34

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
SCHEMBL3213329 0.91 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3213345 0.91 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL2928485 0.87 PTPN1 (0.52) PTPN1PTPN2
SCHEMBL2934467 0.85 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL2936953 0.85 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL2933680 0.81 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL4785520 0.80 PTPN1 (0.46) PTPN1PTPN2CXCR4
SCHEMBL4785526 0.80 PTPN1 (0.46) PTPN1PTPN2CXCR4
SCHEMBL3226863 0.78 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL2936665 0.78 PTPN1 (0.44) 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