SCHEMBL7685704

SCHEMBL7685704

CC(C)(C)OC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
MEP1B Q16820 2/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AKR1C3 P42330 5/20 0.41
ACLY P53396 1/20 0.41
HTT P42858 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7671455 0.91 ACLY (0.41) F2CA1CA2ACLYTDP1
SCHEMBL7691554 0.89 CYP2C19 (0.45) CYP2C19MEP1BF2PRSS1PRSS2
SCHEMBL7663157 0.82 STAT3 (0.51) F2PRSS1
SCHEMBL7668109 0.81 MMP9 (0.55) MMP2MMP9
SCHEMBL7674846 0.81 MMP9 (0.55) MMP2MMP9
SCHEMBL9088931 0.80 MMP9 (0.44) CA1CA2MMP2MMP9TDP1
SCHEMBL9088936 0.80 MMP9 (0.44) CA1CA2MMP2MMP9TDP1
SCHEMBL781932 0.80 MEP1B (0.64) CYP2C19MEP1BF2PRSS1PRSS2
SCHEMBL7674833 0.80 ACLY (0.43) F2CA1CA2ACLYTDP1
SCHEMBL6624164 0.79 MMP9 (0.59) MMP2MMP9TDP1

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
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
US-6177466-B1 Sulfonylamino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP disclosed