SCHEMBL8619633

SCHEMBL8619633

NC(C(=O)O)C(N)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.61
SLC1A3 P43003 3/20 0.61
SLC1A1 P43005 2/20 0.61
MMP1 P03956 3/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
KIF11 P52732 2/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
EEF2K O00418 2/20 0.41
HSD11B1 P28845 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL6006917 0.83 SLC1A3 (0.66) SLC1A2SLC1A3SLC1A1MMP1MMP2
SCHEMBL6006923 0.83 SLC1A3 (0.66) SLC1A2SLC1A3SLC1A1MMP1MMP2
SCHEMBL7651611 0.79 SLC1A2 (0.54) SLC1A2SLC1A3SLC1A1CA12CA1
SCHEMBL382144 0.79 SLC1A2 (0.54) SLC1A2SLC1A3SLC1A1CA12CA1
SCHEMBL7372101 0.78 SLC1A3 (0.58) SLC1A2SLC1A3SLC1A1MMP1MMP2
SCHEMBL9094528 0.78 SLC1A3 (0.58) SLC1A2SLC1A3SLC1A1MMP1MMP2
SCHEMBL8861438 0.78 SLC1A2 (0.41) SLC1A2SLC1A3SLC1A1MMP1MMP2
SCHEMBL8861442 0.78 SLC1A2 (0.41) SLC1A2SLC1A3SLC1A1MMP1MMP2
Hydrochloric Acid SCHEMBL382914 0.78 SLC1A2 (0.53) SLC1A2SLC1A3SLC1A1CA12CA1
SCHEMBL8949440 0.77 SLC1A3 (0.49) SLC1A2SLC1A3SLC1A1MMP1MMP2

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-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP claimed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO claimed