SCHEMBL7301855

SCHEMBL7301855

CN(C)[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.80
MMP1 P03956 6/20 0.80
MMP2 P08253 8/20 0.56
MMP9 P14780 4/20 0.53
MMP3 P08254 2/20 0.53
MMP7 P09237 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
MMP16 P51512 1/20 0.53
ADAM17 P78536 1/20 0.53
DUT P33316 1/20 0.51

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
SCHEMBL7301867 1.00 MMP13 (0.80) MMP13MMP1MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7308866 0.99 MMP13 (0.79) MMP13MMP1MMP2MMP9MMP3
Hydrochloric Acid SCHEMBL7308854 0.99 MMP13 (0.79) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7301778 0.86 MMP13 (0.64) MMP13MMP1MMP2
SCHEMBL7301763 0.86 MMP13 (0.64) MMP13MMP1MMP2
SCHEMBL7181845 0.83 MMP13 (0.78) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6764875 0.82 MMP13 (0.70) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6764872 0.82 MMP13 (0.70) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6764610 0.82 MMP13 (0.70) MMP13MMP1MMP2MMP9MMP3
SCHEMBL7302708 0.81 MMP13 (0.73) MMP13MMP1MMP2MMP9MMP3

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
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
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 claimed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP claimed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed