SCHEMBL7990614

SCHEMBL7990614

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(N)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.71
CTSS P25774 1/20 0.71
CTSK P43235 1/20 0.71
MAPT P10636 2/20 0.67
TP53 P04637 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.65
TACR1 P25103 2/20 0.63
ACE P12821 1/20 0.59
CCKBR P32239 4/20 0.56
CCKAR P32238 1/20 0.56
REN P00797 1/20 0.55
SSTR3 P32745 1/20 0.55
NMBR P28336 1/20 0.55

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
SCHEMBL23656831 0.89 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL9025972 0.87 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL14300166 0.87 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL7438337 0.87 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL8233750 0.86 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL7413708 0.86 CTSL (0.71) CTSLCTSSCTSKMAPTTP53
SCHEMBL2727403 0.86 CTSL (0.71) CTSLCTSSCTSKMAPTTP53
SCHEMBL2727405 0.86 CTSL (0.71) CTSLCTSSCTSKMAPTTP53
SCHEMBL17807348 0.85 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL27871524 0.85 CTSL (0.76) CTSLCTSSCTSKMAPTTP53

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