SCHEMBL6295571

SCHEMBL6295571

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(OC)cc4)ncc3n(C)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 2/20 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
SCHEMBL6364247 0.93 MMP13 (0.65) MMP13SLC22A8MAPTPOLBALDH1A1
SCHEMBL6256740 0.88 MMP13 (0.51) MMP13SLC22A8MAPTPOLBALDH1A1
SCHEMBL6428872 0.87 MMP13 (0.53) MMP13SLC22A8MAPTPOLBALDH1A1
SCHEMBL6463989 0.87 MMP13 (0.55) MMP13MAPTALDH1A1HDAC1HDAC11
SCHEMBL6468114 0.85 MMP13 (0.67) MMP13SLC22A8MAPTTP53
SCHEMBL6518748 0.84 MMP13 (0.54) MMP13SLC22A8MAPTPOLBALDH1A1
SCHEMBL6234634 0.82 MMP13 (0.58) MMP13MAPTPOLBALDH1A1HDAC1
SCHEMBL7100732 0.82 PIK3CD (0.51) MMP13SLC22A8MAPTALDH1A1L3MBTL1
SCHEMBL6396436 0.81 PARG (0.45) MMP13SLC22A8MAPTHDAC1HDAC8
SCHEMBL8311521 0.81 L3MBTL1 (0.46) MMP13SLC22A8MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (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 (7 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 315/4885MAPT 4823/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885MAPT 2826/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885MAPT 1345/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SLC22A8 1442/4885MAPT 2607/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885MAPT 1438/4885
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 1/4885SLC22A8 123/4885MAPT 1774/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 147/4885MAPT 1677/4885

“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.