SCHEMBL5838009

SCHEMBL5838009

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCOC2C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.43
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38
NT5E P21589 1/20 0.37
CXCR4 P61073 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSPO P30536 1/20 0.35
RORC P51449 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5838071 0.85 GRM6 (0.41) CXCR2KMT2AALDH1A1MAPTLMNA
SCHEMBL5837051 0.81 PTPN1 (0.50) PTPN2PTPN1PTPRB
SCHEMBL5837821 0.80 CXCR2 (0.42) CXCR2PTPN2PTPN1PTPRBNT5E
SCHEMBL5837475 0.77 PTPN1 (0.40) CXCR2PTPN2PTPN1PTPRBCXCR4
SCHEMBL5838097 0.77 CTSS (0.45) CXCR2KMT2A
SCHEMBL6316939 0.77 CXCR2 (0.39) CXCR2PTPN2PTPN1PTPRBNT5E
SCHEMBL6315778 0.76 PTPN2 (0.38) CXCR2PTPN2PTPN1PTPRBKMT2A
SCHEMBL5838343 0.75 CXCR2 (0.38) CXCR2PTPN2PTPN1PTPRBNT5E
SCHEMBL7486653 0.73 ADORA1 (0.43) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL5769823 0.73 PTPN1 (0.46) CXCR2PTPN1POLB

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