SCHEMBL6472829

SCHEMBL6472829

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PARG Q86W56 4/20 0.53
MMP13 P45452 2/20 0.51
PPARG P37231 2/20 0.50
RORC P51449 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL7631458 0.92 RORC (0.56) MAPTMEN1KMT2APARGMMP13
SCHEMBL6234634 0.92 MMP13 (0.58) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6254858 0.91 RORC (0.55) MAPTMEN1KMT2APARGMMP13
SCHEMBL7180717 0.90 PPARG (0.58) MAPTPARGMMP13PPARGRORC
SCHEMBL6258510 0.90 KMT2A (0.51) MAPTMEN1KMT2APARGMMP13
SCHEMBL6260402 0.89 KLKB1 (0.55) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6254242 0.89 MMP13 (0.54) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6259580 0.88 MMP13 (0.61) MAPTMEN1KMT2AMMP13PPARG
SCHEMBL6463989 0.88 MMP13 (0.55) MAPTMEN1KMT2APARGMMP13
SCHEMBL6246256 0.88 MAPT (0.58) MAPTMEN1KMT2AMMP13PPARG

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
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US 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
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-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
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 4823/4885MEN1 4715/4885KMT2A 3258/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885MEN1 4353/4885KMT2A 1264/4885
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 1774/4885MEN1 4110/4885KMT2A 1331/4885

“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.