SCHEMBL5837074

SCHEMBL5837074

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCC1OCCc2c1sc(N)c2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
CTSS P25774 5/20 0.49
CTSK P43235 4/20 0.49
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
AKT1 P31749 1/20 0.46
SCN9A Q15858 1/20 0.43
ATM Q13315 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL5841164 1.00 ADORA1 (0.49) ADORA1CTSSCTSKCTSBCTSL
SCHEMBL5838097 0.87 CTSS (0.45) ADORA1CTSSCTSKCTSBCTSL
SCHEMBL7475249 0.86 CTSS (0.44) ADORA1CTSSCTSKCTSBCTSL
SCHEMBL5842061 0.86 CTSS (0.44) ADORA1CTSSCTSKCTSBCTSL
SCHEMBL6317021 0.78 ADORA1 (0.35) ADORA1KMT2AMEN1
SCHEMBL5838379 0.78 CTSS (0.32) ADORA1CTSSCTSKATMKMT2A
SCHEMBL5838350 0.73 ADORA1 (0.38) ADORA1KMT2AMEN1
SCHEMBL5837844 0.72 HPGD (0.46) KMT2AMEN1
SCHEMBL5838074 0.71 GRM6 (0.39) ADORA1KMT2AMEN1
SCHEMBL21010315 0.70 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1

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
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