SCHEMBL8000628

SCHEMBL8000628

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NS(N)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.65
CTSK P43235 9/20 0.65
CTSB P07858 4/20 0.65
CTSL P07711 2/20 0.65
BCL2 P10415 1/20 0.59
AKT1 P31749 1/20 0.57
ACE P12821 1/20 0.57
CA2 P00918 1/20 0.56
REN P00797 2/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ATM Q13315 1/20 0.52

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
SCHEMBL30193288 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLBCL2
SCHEMBL8611600 0.87 BCL2 (0.76) CTSSCTSKCTSBCTSLBCL2
SCHEMBL1164315 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLBCL2
SCHEMBL11979695 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLBCL2
SCHEMBL5556757 0.85 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3004474 0.85 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3004471 0.85 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL11568520 0.84 CTSS (0.67) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6161119 0.84 CTSS (0.70) CTSSCTSKCTSBCTSLAKT1
SCHEMBL19513108 0.84 CTSS (0.70) 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
EP-0991412-A4 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARM INC (US) 2000-06-21 EP disclosed
EP-0991412-A1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Cubist Pharmaceuticals, Inc. (US) 2000-04-12 EP disclosed
WO-1998041215-A1 AMINOACYL SULFAMIDES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS CUBIST PHARMACEUTICALS, INC. (US) 1998-09-24 WO disclosed