SCHEMBL5838102

SCHEMBL5838102

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3cccc(OCc4ccccc4)c3C1=O)N(C(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.38
PTPN2 P17706 4/20 0.38
NT5E P21589 1/20 0.36
CXCR2 P25025 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AGTR2 P50052 1/20 0.32
PTK2 Q05397 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5838606 0.88 ADORA1 (0.36) AGTR2PTK2LMNAMAPT
SCHEMBL5838939 0.88 CXCR2 (0.36) NT5ECXCR2MAPT
SCHEMBL5838591 0.87 ALDH1A1 (0.38) PTPN1PTPN2NT5ECXCR2L3MBTL1
SCHEMBL5837674 0.85 PTPN2 (0.37) PTPN1PTPN2NT5ECXCR2L3MBTL1
SCHEMBL5838449 0.85 CXCR2 (0.39) NT5ECXCR2L3MBTL1ALDH1A1LMNA
SCHEMBL5837965 0.83 PTPN2 (0.34) PTPN1PTPN2NT5ECXCR2PTK2
SCHEMBL5838339 0.81 NT5E (0.37) NT5ECXCR2L3MBTL1ALDH1A1LMNA
SCHEMBL5837092 0.76 PREP (0.41) NT5ECXCR2L3MBTL1NPSR1
SCHEMBL5838246 0.76 CXCR2 (0.39) NT5ECXCR2ALDH1A1LMNAMAPT
SCHEMBL5837094 0.74 NT5E (0.40) PTPN1NT5ECXCR2ALDH1A1LMNA

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 5 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
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed