SCHEMBL6259247

SCHEMBL6259247

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.57
MAPT P10636 9/20 0.56
POLB P06746 5/20 0.56
ESR1 P03372 1/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.55
USP2 O75604 1/20 0.54
THRB P10828 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.52

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
SCHEMBL27588045 0.92 KMT2A (0.54) PPARGMAPTPOLBESR1TP53
SCHEMBL6260659 0.91 ESR1 (0.59) PPARGMAPTPOLBESR1TP53
SCHEMBL6254865 0.88 HPGD (0.53) MAPTPOLBTP53MEN1KMT2A
SCHEMBL7095851 0.85 MMP13 (0.65) PPARGMAPTTP53HPGDKDM4E
SCHEMBL6737183 0.84 MMP13 (0.56) PPARGMAPTKDM4E
SCHEMBL7097607 0.83 MAPT (0.68) PPARGMAPTPOLBESR1TP53
SCHEMBL6465766 0.83 MMP13 (0.55) PPARGMAPTPOLBMEN1KMT2A
SCHEMBL7171065 0.83 MAPT (0.57) PPARGMAPTPOLBESR1TP53
SCHEMBL6432931 0.83 MMP13 (0.55) PPARGMAPTALDH1A1KDM4E
SCHEMBL6463752 0.82 MMP13 (0.51) PPARGMAPTKDM4E

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
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
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
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
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN 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
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-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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 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 (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 PPARG 3301/4885MAPT 4823/4885POLB 1104/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PPARG 497/4885MAPT 1345/4885POLB 2444/4885
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 PPARG 680/4885MAPT 1774/4885POLB 2804/4885

“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.