SCHEMBL5334332

SCHEMBL5334332

COc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.58
MMP12 P39900 1/20 0.58
RAB9A P51151 7/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 2/20 0.56
SMPD1 P17405 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL16689955 0.94 SMPD1 (0.59) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL3729852 0.92 RAB9A (0.68) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL2842512 0.89 KMT2A (0.71) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL16689961 0.86 KMT2A (0.67) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL5334298 0.86 MMP1 (0.63) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL8403461 0.85 ALDH1A1 (0.65) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL1421428 0.84 KMT2A (0.65) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL6653627 0.83 L3MBTL1 (0.61) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL14852921 0.83 LOXL2 (0.60) MMP9MMP1MMP2MMP12RAB9A
SCHEMBL1129093 0.82 MEN1 (0.77) MMP9MMP1RAB9AKMT2ANPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US claimed
EP-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US claimed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US disclosed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 MMP9 12/4885MMP1 4/4885MMP2 6/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP9 13/4885MMP1 10/4885MMP2 17/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP9 5/4885MMP1 17/4885MMP2 18/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 MMP9 8/4885MMP1 2/4885MMP2 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.