SCHEMBL7673435

SCHEMBL7673435

CC(C)(C)OC(=O)CCNS(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.64
CA9 Q16790 7/20 0.64
CA1 P00915 2/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LPAR2 Q9HBW0 3/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL1923940 0.78 CA12 (0.71) CA12CA9CA1CA2MMP1
SCHEMBL7673440 0.77 MEP1B (0.60) MMP2MMP9MMP13F2PRSS1
SCHEMBL29615308 0.77 RECQL (0.41) CA12CA9SMN1; SMN2MEN1MAPT
SCHEMBL19897765 0.77 RECQL (0.41) CA12CA9SMN1; SMN2MEN1MAPT
SCHEMBL13320282 0.77 CA12 (0.79) CA12CA9CA1CA2MMP1
SCHEMBL27713221 0.77 F2 (0.40) CA12CA9F2CA7CA14
SCHEMBL30339217 0.76 CA1 (0.57) CA12CA9CA1CA2MMP1
SCHEMBL3529000 0.76 CA1 (0.57) CA12CA9CA1CA2MMP1
SCHEMBL781932 0.76 MEP1B (0.64) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL1924309 0.76 CA12 (0.72) CA12CA9CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP disclosed