SCHEMBL5836747

SCHEMBL5836747

COc1ccc(CN2Cc3sc(NC(=O)C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c3CC2C(=O)N2Cc3cccc(O[Si](C)(C)C(C)(C)C)c3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
CXCR2 P25025 4/20 0.33
PTPN1 P18031 1/20 0.33
THRB P10828 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
MAPT P10636 2/20 0.30
PPARA Q07869 1/20 0.30
FLT3 P36888 1/20 0.30
POLB P06746 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
SCHEMBL5837805 0.93 NT5E (0.41) NT5ECXCR2PTPN1THRBHDAC8
SCHEMBL5838260 0.90 NT5E (0.38) NT5ECXCR2PTPN1THRBHDAC8
SCHEMBL5838415 0.89 KDM4E (0.38) NT5EHDAC8MAPT
SCHEMBL5837062 0.86 NT5E (0.37) NT5ECXCR2PTPN1THRBMAPT
SCHEMBL5837185 0.84 NT5E (0.38) NT5ECXCR2PTPN1THRBHDAC8
SCHEMBL5837857 0.81 MAPT (0.41) NT5EMAPT
SCHEMBL5837094 0.81 NT5E (0.40) NT5ECXCR2PTPN1HDAC8MAPT
SCHEMBL5837377 0.80 CXCR2 (0.36) NT5ECXCR2THRB
SCHEMBL5837189 0.78 NT5E (0.34) NT5ECXCR2PTPN1THRBMAPT
SCHEMBL5837702 0.76 CXCR2 (0.34) 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 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