SCHEMBL5838844

SCHEMBL5838844

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2CN1C(=O)SC(Cc2ccccn2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.38
PTPN1 P18031 3/20 0.38
PTPRB P23467 1/20 0.38
CXCR2 P25025 8/20 0.34

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
SCHEMBL5837671 0.84 PTPN1 (0.49) PTPN2PTPN1PTPRB
SCHEMBL5838478 0.81 HDAC4 (0.41) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5837130 0.77 PTPN2 (0.35) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5837475 0.74 PTPN1 (0.40) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5838593 0.73 PTPN2 (0.39) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5837700 0.72 PTPN2 (0.41) PTPN2PTPN1PTPRBCXCR2
SCHEMBL6315778 0.71 PTPN2 (0.38) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5837821 0.69 CXCR2 (0.42) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5838009 0.68 CXCR2 (0.43) PTPN2PTPN1PTPRBCXCR2
SCHEMBL5838097 0.67 CTSS (0.45) CXCR2

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
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed