SCHEMBL8713387

SCHEMBL8713387

Nc1ccc(C[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
MMP2 P08253 6/20 0.45
MMP9 P14780 4/20 0.45
ADAMTS4 O75173 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8713394 1.00 CA2 (0.51) CA2L3MBTL1MMP2MMP9ADAMTS4
SCHEMBL20906385 0.87 MMP2 (0.58) L3MBTL1MMP2MMP9ADAMTS4ALDH1A1
SCHEMBL20906386 0.87 MMP2 (0.58) L3MBTL1MMP2MMP9ADAMTS4ALDH1A1
SCHEMBL14812160 0.87 MMP2 (0.58) L3MBTL1MMP2MMP9ADAMTS4ALDH1A1
SCHEMBL26619664 0.83 L3MBTL1 (0.47) L3MBTL1MMP2MMP9ADAMTS4MEN1
SCHEMBL8716108 0.81 CA2 (0.55) CA2L3MBTL1MMP2MMP9ADAMTS4
SCHEMBL8716111 0.81 CA2 (0.55) CA2L3MBTL1MMP2MMP9ADAMTS4
SCHEMBL5230591 0.77 CA2 (0.51) CA2L3MBTL1MMP2MMP9ADAMTS4
SCHEMBL28038654 0.77 CA2 (0.52) CA2L3MBTL1MMP2MMP9ADAMTS4
SCHEMBL28038655 0.77 CA2 (0.52) CA2L3MBTL1MMP2MMP9ADAMTS4

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed