SCHEMBL5334298

SCHEMBL5334298

COc1cccc(COC(=O)c2cccc(C(=O)OCc3cccc(OC)c3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.63
MMP2 P08253 2/20 0.63
MMP9 P14780 2/20 0.63
MMP12 P39900 2/20 0.63
MMP13 P45452 1/20 0.58
MRGPRX4 Q96LA9 2/20 0.57
THRB P10828 1/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
NPC1 O15118 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL1421428 0.89 KMT2A (0.65) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL13625640 0.88 PRKCA (0.64) MMP1MMP2MMP9MMP12MMP13
SCHEMBL16689955 0.86 SMPD1 (0.59) MMP1MMP2MMP9MMP12RAB9A
SCHEMBL5334332 0.86 MMP9 (0.59) MMP1MMP2MMP9MMP12MRGPRX4
SCHEMBL17978125 0.85 MEN1 (0.58) MMP13RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL27957224 0.84 MMP1 (0.56) MMP1MMP2MMP9MMP12MMP13
SCHEMBL15014006 0.84 MMP1 (0.56) MMP1MMP2MMP9MMP12MMP13
SCHEMBL28556983 0.83 MMP1 (0.61) MMP1MMP2MMP9MMP12MMP13
SCHEMBL31326237 0.83 MMP1 (0.61) MMP1MMP2MMP9MMP12MMP13
SCHEMBL27957113 0.82 MMP1 (0.54) MMP1MMP2MMP9MMP12MRGPRX4

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

“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.