SCHEMBL6270645

SCHEMBL6270645

CCOc1ccccc1CC#Cc1cnccc1C(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
DGAT2 Q96PD7 1/20 0.44
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
PTGER4 P35408 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PTGER2 P43116 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6266349 0.89 NR1H4 (0.42) PTGER4ALDH1A1MAPK1MAPT
SCHEMBL6270649 0.86 LMNA (0.55) LMNAPOLBPTGER4MAPK1HPGD
SCHEMBL6266356 0.83 ALDH1A1 (0.43) KDM4ELMNAPTGER4ALDH1A1KMT2A
SCHEMBL6233299 0.82 NAMPT (0.48) LMNAPTGER4MAPK1
SCHEMBL6231975 0.81 USP2 (0.53) LMNAALDH1A1KMT2AHPGDMAPT
SCHEMBL6231332 0.79 MMP13 (0.47) POLBPTGER4RAB9APTGER2
SCHEMBL6271123 0.78 KDM4E (0.54) KDM4EDGAT2LMNAALDH1A1KMT2A
SCHEMBL6238040 0.70 NAMPT (0.51) LMNAPOLBMAPK1
SCHEMBL6232551 0.69 NAMPT (0.50) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL28357196 0.67 SGMS2 (0.76) KDM4ELMNAPOLBALDH1A1MAPK1

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-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-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-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 KDM4E 613/4885DGAT2 3486/4885LMNA 3615/4885
US-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 KDM4E 369/4885DGAT2 3855/4885LMNA 2327/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 KDM4E 537/4885DGAT2 4131/4885LMNA 4332/4885
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 KDM4E 2212/4885DGAT2 3012/4885LMNA 1330/4885
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 KDM4E 539/4885DGAT2 3765/4885LMNA 4131/4885

“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.