SCHEMBL6231728

SCHEMBL6231728

COc1cc(CC#Cc2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)cc(C)c3s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 13/20 0.49
ALDH1A1 P00352 1/20 0.39
MAPK10 P53779 1/20 0.39
TRPA1 O75762 1/20 0.38
FEN1 P39748 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP2 Q13822 1/20 0.36
ROCK2 O75116 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL6229848 0.87 MMP13 (0.46) MMP13ALDH1A1MAPK10SLC22A8MEN1
SCHEMBL6237217 0.86 MMP13 (0.36) MMP13TRPA1ROCK2PDE4APDE4B
SCHEMBL6233684 0.86 MMP13 (0.49) MMP13ALDH1A1MAPK10TRPA1FEN1
SCHEMBL6264124 0.83 MMP13 (0.46) MMP13ALDH1A1MAPK10SLC22A8MEN1
SCHEMBL6271355 0.82 MMP13 (0.51) MMP13ALDH1A1MAPK10SLC22A8MEN1
SCHEMBL6232596 0.82 MMP13 (0.46) MMP13ALDH1A1MAPK10SLC22A8
SCHEMBL6270126 0.81 MMP13 (0.44) MMP13ALDH1A1MAPK10FEN1SLC22A8
SCHEMBL7035431 0.80 MMP13 (0.48) MMP13ALDH1A1TRPA1FEN1SLC22A8
SCHEMBL6264121 0.80 MMP13 (0.45) MMP13ALDH1A1MAPK10SLC22A8MEN1
SCHEMBL6271352 0.79 MMP13 (0.43) MMP13ALDH1A1MAPK10SLC22A8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP claimed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US claimed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO claimed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1534274-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-06-01 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
EP-1525030-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-04-27 EP disclosed
US-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP 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-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-05 US disclosed
US-20040019055-A1 Combination of an allosteric alkyne 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-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006914-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004007025-A1 COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 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 (5 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-20040019055-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ALDH1A1 750/4885MAPK10 365/4885
US-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ALDH1A1 1558/4885MAPK10 121/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885ALDH1A1 2996/4885MAPK10 432/4885
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 MMP13 2/4885ALDH1A1 102/4885MAPK10 426/4885
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 2/4885ALDH1A1 2782/4885MAPK10 367/4885

“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.