SCHEMBL7429119

SCHEMBL7429119

CC1(C)OC[C@@H]([C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 1.00
MMP2 P08253 17/20 1.00
MMP1 P03956 9/20 1.00
MMP3 P08254 1/20 1.00
MMP7 P09237 1/20 1.00
MMP8 P22894 1/20 1.00
MMP13 P45452 1/20 1.00

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
SCHEMBL7594373 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL8341893 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7594723 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7429131 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7594720 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL34604 1.00 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7
SCHEMBL13035001 0.92 MMP9 (0.85) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7593382 0.91 MMP9 (0.84) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7593375 0.91 MMP9 (0.84) MMP9MMP2MMP1MMP3MMP7
SCHEMBL7594936 0.90 MMP9 (1.00) MMP9MMP2MMP1MMP3MMP7

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
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP claimed
EP-1147101-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2001-10-24 EP claimed
WO-2000044739-A1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO claimed
EP-1147101-B1 REVERSE HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-11-20 EP disclosed