SCHEMBL5842462

SCHEMBL5842462

CC[Si](CC)(CC)OCC1OCCc2c1sc(N)c2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.36
ALDH1A1 P00352 11/20 0.34
MAPT P10636 10/20 0.34
HPGD P15428 7/20 0.34
GAA P10253 6/20 0.34
KDM4E B2RXH2 5/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 2/20 0.33
GRM6 O15303 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL5838672 0.84 ADORA1 (0.38) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838350 0.84 ADORA1 (0.38) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837700 0.83 PTPN2 (0.41) ALDH1A1MAPTHPGDLMNAPTPN2
SCHEMBL6317021 0.79 ADORA1 (0.35) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837719 0.78 ADORA1 (0.36) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837864 0.77 ADORA1 (0.34) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837689 0.76 ALDH1A1 (0.39) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837538 0.76 ADORA1 (0.44) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5838074 0.76 GRM6 (0.39) ADORA1ALDH1A1MAPTHPGDGAA
SCHEMBL5837919 0.75 ADORA1 (0.37) ADORA1ALDH1A1MAPTHPGDGAA

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