SCHEMBL6724632

SCHEMBL6724632

COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(CC(=O)O)cc2)c(=O)n3C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.53
MAPT P10636 8/20 0.52
PPARG P37231 1/20 0.51
RXFP1 Q9HBX9 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL6234634 0.94 MMP13 (0.58) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6246256 0.93 MAPT (0.58) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6259580 0.93 MMP13 (0.61) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6463989 0.91 MMP13 (0.55) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6471030 0.90 MMP13 (0.51) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6256638 0.90 MMP13 (0.54) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL7020566 0.90 MAPT (0.54) MMP13MAPTPPARGRXFP1MEN1
SCHEMBL6255321 0.90 MAPT (0.54) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6260402 0.90 KLKB1 (0.55) MMP13MAPTPPARGRXFP1KDM4E
SCHEMBL6254242 0.90 MMP13 (0.54) MMP13MAPTPPARGRXFP1KDM4E

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 MMP13 1/4885MAPT 4823/4885PPARG 3301/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885MAPT 1345/4885PPARG 497/4885
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 1/4885MAPT 1774/4885PPARG 680/4885

“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.