SCHEMBL4556367

SCHEMBL4556367

CCNC(=O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C(O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.53
PTPN2 P17706 4/20 0.34
ERCC1 P07992 2/20 0.33
ERCC4 Q92889 2/20 0.33
LNPEP Q9UIQ6 2/20 0.33
MCL1 Q07820 1/20 0.32
HSD17B2 P37059 1/20 0.31
PTGER4 P35408 1/20 0.31
AKR1B1 P15121 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
SCHEMBL3216202 0.96 PTPN1 (0.56) PTPN1PTPN2ERCC1ERCC4MCL1
SCHEMBL3219890 0.91 PTPN1 (0.58) PTPN1PTPN2AKR1B1
SCHEMBL4785568 0.90 PTPN1 (0.45) PTPN1PTPN2MCL1
SCHEMBL4556368 0.88 PTPN1 (0.51) PTPN1PTPN2ERCC1ERCC4PTGER4
SCHEMBL3919898 0.84 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL2938403 0.83 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL649557 0.80 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL3226681 0.80 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL648001 0.79 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL3219601 0.79 PTPN1 (0.60) 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