SCHEMBL4557101

SCHEMBL4557101

CC(C)(Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1)C(=O)c1ccccc1.O=c1[nH][s+]([O-])[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.42
PTPN2 P17706 8/20 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
SCHEMBL3917392 0.77 PTPN1 (0.41) PTPN1PTPN2
Potassium SCHEMBL3917394 0.77 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL4782763 0.77 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL4733377 0.75 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL2933873 0.75 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL2937456 0.73 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL3215930 0.73 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL3213657 0.72 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL27758423 0.72 KDM4E (0.32)
SCHEMBL4461683 0.72 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-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