SCHEMBL5838142

SCHEMBL5838142

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1C(=O)C=CC1=O)OC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.38
ALDH1A1 P00352 10/20 0.35
GAA P10253 6/20 0.35
GRM6 O15303 1/20 0.35
MAPT P10636 9/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 5/20 0.34
ALOX15 P16050 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CISD2 Q8N5K1 1/20 0.32
CXCR2 P25025 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
ANO1 Q5XXA6 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
SCHEMBL5838365 0.86 CYP1A2 (0.40) ADORA1ALDH1A1GAAGRM6MAPT
SCHEMBL5837759 0.85 ADORA1 (0.36) ADORA1ALDH1A1GAAGRM6MAPT
SCHEMBL6316763 0.85 ALDH1A1 (0.39) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL7479584 0.85 ALDH1A1 (0.36) ADORA1ALDH1A1GAAMAPTHPGD
SCHEMBL6316462 0.85 ADORA1 (0.35) ADORA1ALDH1A1GAAGRM6MAPT
SCHEMBL5837586 0.82 ADORA1 (0.41) ADORA1ALDH1A1GAAGRM6MAPT
SCHEMBL5838030 0.82 ADORA1 (0.41) ADORA1ALDH1A1GAAGRM6MAPT
SCHEMBL5838574 0.82 ALDH1A1 (0.41) ALDH1A1GAAMAPTKDM4EHSD17B10
SCHEMBL5837768 0.82 ALDH1A1 (0.45) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL5837601 0.81 MEN1 (0.35) ADORA1ALDH1A1GAAGRM6MAPT

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