SCHEMBL4556992

SCHEMBL4556992

CS(=O)(=O)c1cccc(-c2ccc3cc(O)c(N4CCNS4(=O)=O)cc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
JAK2 O60674 5/20 0.35
JAK3 P52333 5/20 0.35
PTK2 Q05397 4/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
KCNH2 Q12809 3/20 0.34
SCD O00767 1/20 0.34
GRIA2 P42262 1/20 0.34
RXRA P19793 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CHRM3 P20309 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DPP4 P27487 1/20 0.33
ACVR1 Q04771 1/20 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
SCHEMBL630132 0.83 PTPN1 (0.60) PTPN1PIK3CDPIK3CGSCDPRMT5
SCHEMBL2933403 0.82 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL2935759 0.80 PGR (0.39) PTPN1JAK2
SCHEMBL2929513 0.80 PTPN1 (0.41) PTPN1PIK3C3CHRM3
SCHEMBL27746006 0.80 PTPN1 (0.36) PTPN1CTSKCTSCPIK3CDPIK3CG
SCHEMBL4556988 0.79 FFAR1 (0.40) PTPN1CHRM3
SCHEMBL630453 0.69 PTPN1 (0.57) PTPN1PIK3CDPIK3CG
SCHEMBL4784071 0.67 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL4784078 0.67 PTPN1 (0.39) PTPN1PIK3C3
SCHEMBL4557317 0.67 PTPN1 (0.39) PTPN1PIK3C3

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