SCHEMBL7475249

SCHEMBL7475249

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.44
CTSK P43235 4/20 0.44
CTSB P07858 3/20 0.44
CTSL P07711 1/20 0.44
AKT1 P31749 1/20 0.42
SCN9A Q15858 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPRA P18433 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL5842061 1.00 CTSS (0.44) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5841164 0.86 ADORA1 (0.49) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5837074 0.86 ADORA1 (0.49) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5838097 0.83 CTSS (0.45) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6230968 0.71 GPR119 (0.37)
SCHEMBL21010315 0.66 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10040933 0.66 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.66 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12204485 0.66 CTSS (0.77) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3383006 0.66 CTSS (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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