SCHEMBL5837698

SCHEMBL5837698

COc1cccc2c1CN(C(=O)C1Cc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)CN1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 9/20 0.38
ABHD6 Q9BV23 2/20 0.36
NT5E P21589 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
SLC6A9 P48067 1/20 0.32

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
SCHEMBL5837373 0.92 CXCR2 (0.36) CXCR2NT5EMAPTTHRBHSP90B1
SCHEMBL5837377 0.91 CXCR2 (0.36) CXCR2NT5ETHRB
SCHEMBL5838482 0.85 THRB (0.34) CXCR2NT5EMAPTTHRB
SCHEMBL5837805 0.80 NT5E (0.41) CXCR2ABHD6NT5EMAPTTHRB
SCHEMBL5837189 0.78 NT5E (0.34) CXCR2NT5EMAPTTHRB
SCHEMBL5838260 0.75 NT5E (0.38) CXCR2NT5EMAPTTHRB
SCHEMBL5836747 0.74 NT5E (0.38) CXCR2NT5EMAPTTHRB
SCHEMBL5837702 0.74 CXCR2 (0.34) CXCR2
SCHEMBL6315579 0.74 CXCR2 (0.44) CXCR2NT5EMAPT
SCHEMBL5838246 0.72 CXCR2 (0.39) CXCR2NT5EMAPTTHRB

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