SCHEMBL5838482

SCHEMBL5838482

COC(=O)c1cc(OC)cc2c1CN(C(=O)C1Cc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)CN1)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
CXCR2 P25025 5/20 0.34
NT5E P21589 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5837698 0.85 CXCR2 (0.38) THRBCXCR2NT5EMAPT
SCHEMBL5837185 0.81 NT5E (0.38) THRBCXCR2NT5EPOLBMAPT
SCHEMBL5837373 0.80 CXCR2 (0.36) THRBCXCR2NT5EMAPT
SCHEMBL5837377 0.79 CXCR2 (0.36) THRBCXCR2NT5E
SCHEMBL5838328 0.68 KDM4E (0.40) NT5EMAPT
SCHEMBL6315579 0.68 CXCR2 (0.44) CXCR2NT5EMAPT
SCHEMBL5837805 0.68 NT5E (0.41) THRBCXCR2NT5EMAPT
SCHEMBL5837189 0.66 NT5E (0.34) THRBCXCR2NT5EMAPT
SCHEMBL5838260 0.65 NT5E (0.38) THRBCXCR2NT5EMAPT
SCHEMBL5836747 0.65 NT5E (0.38) THRBCXCR2NT5EPOLBMAPT

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
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