SCHEMBL7302689

SCHEMBL7302689

COc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)NOC(C)(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.74
MMP2 P08253 10/20 0.74
SMN1; SMN2 Q16637 1/20 0.46
MMP1 P03956 6/20 0.43
MMP13 P45452 4/20 0.43
MMP8 P22894 1/20 0.43
STS P08842 1/20 0.43
ADAM17 P78536 1/20 0.42
SCN9A Q15858 1/20 0.41
MMP3 P08254 4/20 0.41
MMP7 P09237 3/20 0.41
TRPA1 O75762 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
SCHEMBL7302697 1.00 MMP9 (0.74) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL7305247 0.98 MMP9 (0.70) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL7305528 0.85 MMP9 (1.00) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL7305533 0.85 MMP9 (1.00) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL7308413 0.83 MMP9 (0.95) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL7308416 0.83 MMP9 (0.95) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL31630322 0.82 MMP9 (0.76) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL31630491 0.81 MMP2 (0.74) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL31630255 0.81 MMP2 (0.74) MMP9MMP2SMN1; SMN2MMP1MMP13
SCHEMBL27438204 0.81 MMP9 (0.62) MMP9MMP2SMN1; SMN2MMP1MMP13

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