SCHEMBL7372437

SCHEMBL7372437

CN(C)S(=O)(=O)C(N)C(N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
SLC1A3 P43003 9/20 0.37
SLC1A2 P43004 9/20 0.37
SLC1A1 P43005 7/20 0.37
GLO1 Q04760 1/20 0.36
PMP22 Q01453 1/20 0.32
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL8601350 0.70 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1PMP22
SCHEMBL8861405 0.70 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GLO1
SCHEMBL8861403 0.70 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GLO1
Valine SCHEMBL5728230 0.70 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1GLO1
SCHEMBL25268703 0.69 SLC1A3 (0.32) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL25263200 0.69 SLC1A3 (0.32) SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL400832 0.69 TP53 (0.36) SLC7A5
SCHEMBL600021 0.64 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL1007447 0.64 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1USP2
SCHEMBL468084 0.64 SLC7A5 (0.62) SLC7A5SLC1A3SLC1A2SLC1A1USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 EP disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed