SCHEMBL4556982

SCHEMBL4556982

COC(=O)C(C)Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.COC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.44
PTPN2 P17706 9/20 0.35
APP P05067 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
SCHEMBL2933682 0.92 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL3085123 0.91 PTPN1 (0.51) PTPN1PTPN2APP
SCHEMBL2937302 0.82 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3228343 0.80 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL2934233 0.80 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3923934 0.79 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3205271 0.77 IAPP (0.51) PTPN1PTPN2
SCHEMBL2937456 0.77 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3225559 0.77 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL2928483 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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