SCHEMBL5837864

SCHEMBL5837864

CC(C)(C)OC(=O)c1c(N)sc2c1CCOC2CN1C(=O)CSC1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM6 O15303 1/20 0.31
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7490616 0.85 ALDH1A1 (0.34) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5837130 0.84 PTPN2 (0.35) ALDH1A1MAPTHPGD
SCHEMBL5838074 0.82 GRM6 (0.39) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5838672 0.81 ADORA1 (0.38) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5838350 0.81 ADORA1 (0.38) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5842462 0.77 ADORA1 (0.36) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL6317021 0.76 ADORA1 (0.35) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5838395 0.75 GRM6 (0.36) ADORA1ALDH1A1MEN1KMT2AGAA
SCHEMBL5838338 0.74 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AGRM6KDM4E
SCHEMBL5838663 0.71 PTPN1 (0.47) ALDH1A1HSD17B10

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