SCHEMBL7673572

SCHEMBL7673572

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.54
TMPRSS6 Q8IU80 7/20 0.54
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
HPN P05981 3/20 0.48
PLAU P00749 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PLG P00747 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
CACNA1B Q00975 1/20 0.45
CTSL P07711 1/20 0.44
ST14 Q9Y5Y6 1/20 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
SCHEMBL7667925 1.00 F2 (0.54) F2TMPRSS6ITGB3ITGA2BHPN
SCHEMBL7895440 0.88 ITGB3 (0.62) F2TMPRSS6ITGB3ITGA2BALDH1A1
SCHEMBL7673755 0.88 ITGB3 (0.62) F2TMPRSS6ITGB3ITGA2BALDH1A1
SCHEMBL7669728 0.86 PLAU (0.45) F2TMPRSS6ITGB3ITGA2BHPN
SCHEMBL7667927 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMMP2MMP9CTSL
SCHEMBL7688160 0.82 ALDH1A1 (0.59) ALDH1A1MAPTMMP2MMP9CTSL
SCHEMBL5090813 0.80 ALDH1A1 (0.59) ALDH1A1MAPTMMP2MMP9CTSL
SCHEMBL8445738 0.78 CTSL (0.67) ALDH1A1MAPTMMP2MMP9CTSL
SCHEMBL3441383 0.76 F2 (0.55) F2ALDH1A1MAPTPLGMMP2
SCHEMBL7665182 0.76 PRSS1 (0.56) ITGB3ITGA2B

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