SCHEMBL4785672

SCHEMBL4785672

CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c(C(C)C)c1.Nc1cccc(CS(=O)(=O)NCCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
PTPN2 P17706 1/20 0.33
PLAU P00749 15/20 0.32
PLG P00747 13/20 0.32
PLAT P00750 2/20 0.32
F10 P00742 6/20 0.32
F2 P00734 5/20 0.32
ST14 Q9Y5Y6 5/20 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
SCHEMBL2933056 0.90 PTPN1 (0.44) PTPN1PTPN2PLAUPLGPLAT
SCHEMBL2929970 0.88 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3221264 0.81 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL2930264 0.80 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3216007 0.79 PTPN1 (0.47) PTPN1PTPN2F10
SCHEMBL4557753 0.78 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL2933075 0.78 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL2934077 0.76 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL3216895 0.76 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL2934340 0.75 PTPN1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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