SCHEMBL5837645

SCHEMBL5837645

CC(C)(C)OC(=O)c1c(N)sc2c1CCOC2CNC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
GAA P10253 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM6 O15303 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6317021 0.85 ADORA1 (0.35) ADORA1ALDH1A1HPGDGAAMAPT
SCHEMBL5838350 0.80 ADORA1 (0.38) ADORA1ALDH1A1HPGDGAAMAPT
SCHEMBL5838672 0.80 ADORA1 (0.38) ADORA1ALDH1A1HPGDGAAMAPT
SCHEMBL5839901 0.78 GRM6 (0.30) ALDH1A1HPGDGRM6
SCHEMBL5838379 0.78 CTSS (0.32) ADORA1ALDH1A1HPGDMAPTMEN1
SCHEMBL5841311 0.78 CTSS (0.32) ADORA1ALDH1A1HPGDMAPTMEN1
SCHEMBL5838674 0.75 GPR119 (0.41) ALDH1A1HPGDKDM4EHSD17B10GRM6
SCHEMBL5837844 0.75 HPGD (0.46) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL5841164 0.75 ADORA1 (0.49) ADORA1MEN1KMT2A
SCHEMBL5837074 0.75 ADORA1 (0.49) ADORA1MEN1KMT2A

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