SCHEMBL7301198

SCHEMBL7301198

O=C(O)CC(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.56
MMP1 P03956 7/20 0.56
MMP3 P08254 6/20 0.56
PDE4A P27815 3/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
MMP13 P45452 4/20 0.50
MMP9 P14780 3/20 0.50
MMP7 P09237 2/20 0.50
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
CPB2 Q96IY4 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MME P08473 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL7311143 0.83 MMP1 (0.54) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7311140 0.83 MMP1 (0.54) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7313243 0.83 MMP2 (0.51) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7073256 0.82 MMP2 (0.77) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL27477106 0.78 PPARG (0.52) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7299010 0.78 MMP1 (0.76) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7302153 0.76 MMP2 (0.73) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL27611646 0.74 CPA1 (0.58) CPA1CPB1CPA3CPB2MEN1
SCHEMBL7310358 0.74 MMP1 (0.70) MMP2MMP1MMP3PDE4APDE4B
SCHEMBL7310353 0.74 MMP1 (0.70) MMP2MMP1MMP3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed