SCHEMBL5339004

SCHEMBL5339004

CCOc1ccc(C(=O)NCc2cccc(OC)c2)cc1C(=O)NCc1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.67
HPGD P15428 3/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
PPARA Q07869 1/20 0.58
CYP3A4 P08684 4/20 0.57
ROCK2 O75116 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
ROCK1 Q13464 2/20 0.57
PRKACA P17612 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCQ Q04759 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57

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
SCHEMBL5336963 0.91 MMP13 (0.74) MMP13HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL5335114 0.85 MMP13 (0.66) MMP13HPGDLMNAL3MBTL1ALDH1A1
SCHEMBL28409948 0.82 KCNB1 (0.82) HPGDKMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL9416645 0.81 MMP13 (0.94) MMP13HPGDLMNAKMT2AALDH1A1
SCHEMBL5332068 0.81 MMP13 (1.00) MMP13HPGDLMNAKMT2AALDH1A1
SCHEMBL31061610 0.81 MMP13 (1.00) MMP13HPGDLMNAKMT2AALDH1A1
SCHEMBL12496869 0.79 AURKA (0.72) MMP13HPGDLMNAKMT2AL3MBTL1
SCHEMBL13940425 0.78 MMP13 (0.90) MMP13HPGDLMNAALDH1A1KDM4E
SCHEMBL5338148 0.78 L3MBTL1 (0.74) HPGDLMNAKMT2AL3MBTL1ALDH1A1
SCHEMBL3816981 0.78 MMP13 (0.77) MMP13HPGDLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US claimed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US claimed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US 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
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
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US 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 MMP13 1/4885HPGD 353/4885LMNA 3585/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885HPGD 247/4885LMNA 4372/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 MMP13 1/4885HPGD 189/4885LMNA 1913/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885HPGD 148/4885LMNA 4296/4885

“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.