SCHEMBL5838591

SCHEMBL5838591

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(C(=O)N1Cc3cccc(OCc4ccccc4)c3C1=O)OC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CXCR2 P25025 10/20 0.37
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
NT5E P21589 1/20 0.35
RAB7A P51149 2/20 0.34
TSPO P30536 1/20 0.33
PTK2 Q05397 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5838246 0.90 CXCR2 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5838623 0.87 CXCR2 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5838102 0.87 PTPN1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5838560 0.86 CXCR2 (0.37) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL6314287 0.84 CXCR2 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5837829 0.84 CXCR2 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5837965 0.82 PTPN2 (0.34) ALDH1A1MAPTCXCR2PTPN2PTPN1
SCHEMBL5837674 0.82 PTPN2 (0.37) CXCR2PTPN2PTPN1NT5EPTK2
SCHEMBL6322122 0.81 RAB7A (0.42) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL5838257 0.80 CXCR2 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1

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