SCHEMBL5837674

SCHEMBL5837674

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCN(C(=O)O)C2C(=O)N1Cc2cccc(OCc3ccccc3)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 3/20 0.37
PTPN1 P18031 3/20 0.37
NT5E P21589 1/20 0.35
GHSR Q92847 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CXCR2 P25025 2/20 0.32
CARM1 Q86X55 1/20 0.32
HTT P42858 1/20 0.32
PTK2 Q05397 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
SCHEMBL5837464 0.88 ADORA1 (0.35) NT5EGHSRCARM1HTTPTK2
SCHEMBL5838317 0.88 CXCR2 (0.33) NT5ECXCR2
SCHEMBL5838518 0.86 CXCR2 (0.36) PTPN2PTPN1NT5EL3MBTL1CXCR2
SCHEMBL5838102 0.85 PTPN1 (0.38) PTPN2PTPN1NT5EL3MBTL1CXCR2
SCHEMBL5838591 0.82 ALDH1A1 (0.38) PTPN2PTPN1NT5EL3MBTL1CXCR2
SCHEMBL5837965 0.80 PTPN2 (0.34) PTPN2PTPN1NT5ECXCR2HTT
SCHEMBL5837976 0.77 CXCR2 (0.33) PTPN2PTPN1NT5ECXCR2
SCHEMBL5838606 0.74 ADORA1 (0.36) PTK2
SCHEMBL7521804 0.73 NT5E (0.37) NT5EL3MBTL1CXCR2
SCHEMBL5838939 0.72 CXCR2 (0.36) NT5ECXCR2

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