SCHEMBL5837389

SCHEMBL5837389

CC(C)(C)OC(=O)c1c(N)sc2c1C[C@@H](C(=O)NC1CCSC1=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.40
ATM Q13315 1/20 0.37
SCN4A P35499 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL5837386 1.00 ADORA1 (0.40) ADORA1ATMSCN4AMAPTKDM4E
SCHEMBL5838794 0.80 ADORA1 (0.51) ADORA1SCN4AMAPTKDM4EGAA
SCHEMBL5838020 0.80 ADORA1 (0.49) ADORA1SCN4AMAPTKDM4EGAA
SCHEMBL5837408 0.80 ADORA1 (0.51) ADORA1SCN4AMAPTKDM4EGAA
SCHEMBL5838302 0.77 HDAC8 (0.49) ADORA1MAPTKDM4E
SCHEMBL5837548 0.72 ADORA1 (0.51) ADORA1MAPTKDM4EGAAALDH1A1
SCHEMBL6049948 0.72 ADORA1 (0.51) ADORA1MAPTKDM4EGAAALDH1A1
SCHEMBL5838237 0.71 ADORA1 (0.46) ADORA1MAPTKDM4EGAAALDH1A1
SCHEMBL29839794 0.67 ADORA1 (0.66) ADORA1MAPTKDM4EGAAL3MBTL1
SCHEMBL29839789 0.67 ADORA1 (0.66) ADORA1MAPTKDM4EGAAL3MBTL1

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 3 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
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed