SCHEMBL5838682

SCHEMBL5838682

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1C(=O)c3cccc(Cl)c3C1=O)OC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
GRM6 O15303 2/20 0.33
ADORA1 P30542 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PABPC1 P11940 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR4 Q13639 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
SCHEMBL5837601 0.90 MEN1 (0.35) GRM6ADORA1MEN1KMT2ANPC1
SCHEMBL5838365 0.90 CYP1A2 (0.40) HPGDGRM6ADORA1MEN1KMT2A
SCHEMBL6316462 0.88 ADORA1 (0.35) HPGDTSHRMAPK1GRM6ADORA1
SCHEMBL5838657 0.87 ALDH1A1 (0.37) MAPK1MEN1KMT2ANPC1MAPT
SCHEMBL5838384 0.84 ALDH1A1 (0.35) HPGDTSHRGRM6ADORA1KMT2A
SCHEMBL5838574 0.82 ALDH1A1 (0.41) TSHRKDM4ENPC1RAB9AMAPT
SCHEMBL5837768 0.82 ALDH1A1 (0.45) TSHRMEN1KMT2AALDH1A1
SCHEMBL5838142 0.81 ADORA1 (0.38) HPGDTSHRMAPK1GRM6ADORA1
SCHEMBL5837759 0.80 ADORA1 (0.36) HPGDTSHRMAPK1GRM6ADORA1
SCHEMBL6316763 0.80 ALDH1A1 (0.39) HPGDTSHRMAPK1ADORA1MEN1

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 7 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
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 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
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed