SCHEMBL5837587

SCHEMBL5837587

COCOc1ccc2c(c1)C(=O)N(C(=O)C1Cc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)CO1)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.34
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NT5E P21589 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL5838447 0.86 CXCR2 (0.39) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5838257 0.86 CXCR2 (0.39) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6314287 0.85 CXCR2 (0.41) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5837750 0.85 GABRA1 (0.35) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6316317 0.84 CXCR2 (0.35) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5837570 0.84 ALDH1A1 (0.35) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5836667 0.84 CXCR2 (0.36) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6322122 0.80 RAB7A (0.42) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5838246 0.80 CXCR2 (0.39) CXCR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5838623 0.79 CXCR2 (0.38) CXCR2MAPTALDH1A1LMNASMN1; SMN2

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
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed