Sugi Predict

Sugi Predict / Compounds / SCHEMBL4557744

SCHEMBL4557744

SCHEMBL4557744

O=C1CCc2ccccc2[C@@H](Cc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)N1.O=C1CN(c2ccc(CC3CCc4ccccc4C(=O)N3)cc2O)S(=O)(=O)N1.O=C1CN(c2ccc(C[C@H]3C(=O)NCCc4ccccc43)cc2O)S(=O)(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.34
▸ PTPN2 P17706 2/20 0.32
▸ CXCR4 P61073 1/20 0.30

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
SCHEMBL4557747 1.00 PTPN1 (0.34) PTPN1PTPN2CXCR4
SCHEMBL3226863 0.85 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3221310 0.85 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL2936665 0.85 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3208787 0.83 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3226441 0.77 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3226456 0.77 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL2930305 0.75 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3226502 0.75 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3213345 0.74 PTPN1 (0.48) 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-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
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