SCHEMBL6732656

SCHEMBL6732656

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(OC)cc4)ccc3n(C)c2=O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
RXFP1 Q9HBX9 4/20 0.48
MMP13 P45452 2/20 0.48
PPARG P37231 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ESR1 P03372 1/20 0.43
GFER P55789 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL6732764 0.93 PPARG (0.53) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6727453 0.92 MAPT (0.50) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL7627394 0.92 PPARG (0.49) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL7623153 0.91 MAPT (0.51) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6463989 0.89 MMP13 (0.55) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6234634 0.89 MMP13 (0.58) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6433714 0.87 PPARG (0.55) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6437738 0.87 RXFP1 (0.53) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6732810 0.86 PPARG (0.53) MAPTRXFP1MMP13PPARGMEN1
SCHEMBL6724659 0.86 PPARG (0.53) MAPTRXFP1MMP13PPARGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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 (3 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 MAPT 4823/4885RXFP1 83/4885MMP13 1/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885RXFP1 1780/4885MMP13 1/4885
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 MAPT 1774/4885RXFP1 1455/4885MMP13 1/4885

“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.