SCHEMBL5837538

SCHEMBL5837538

CCOC(=O)C1OCCc2c1sc(N)c2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.44
ALDH1A1 P00352 11/20 0.42
MAPT P10636 9/20 0.42
GAA P10253 9/20 0.42
HPGD P15428 8/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GRM6 O15303 1/20 0.37

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
SCHEMBL17903393 0.90 MAPT (0.51) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL15236872 0.85 ALDH1A1 (0.41) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5837919 0.84 ADORA1 (0.37) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5838672 0.80 ADORA1 (0.38) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5838350 0.80 ADORA1 (0.38) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL21597587 0.79 ALDH1A1 (0.48) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5838071 0.76 GRM6 (0.41) ADORA1ALDH1A1MAPTGAATSHR
SCHEMBL5837719 0.76 ADORA1 (0.36) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5842462 0.76 ADORA1 (0.36) ADORA1ALDH1A1MAPTGAAHPGD
SCHEMBL5838406 0.76 GRM6 (0.40) ADORA1ALDH1A1MAPTGAAHPGD

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