SCHEMBL5838538

SCHEMBL5838538

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(CN1C(=O)c3nccnc3C1=O)OC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.37
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 1/20 0.33
TSPO P30536 1/20 0.33
RAB7A P51149 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL5838589 0.92 CXCR2 (0.37) CXCR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5837759 0.84 ADORA1 (0.36) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5837378 0.83 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL5838269 0.82 PTPN1 (0.44) PTPN1RAB7A
SCHEMBL5837569 0.81 CXCR2 (0.42) CXCR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5838604 0.81 CXCR2 (0.34) CXCR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5838393 0.80 CXCR2 (0.41) CXCR2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5837565 0.77 GPR119 (0.33) CXCR2ALDH1A1MAPTTSHR
SCHEMBL5838384 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EHPGDTSHR
SCHEMBL6314950 0.75 CXCR2 (0.46) CXCR2ALDH1A1MAPTSMN1; SMN2LMNA

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