SCHEMBL6273669

SCHEMBL6273669

CCOc1ccc(CC#Cc2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)ccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.51
SLC22A8 Q8TCC7 2/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
PLA2G4B P0C869 1/20 0.38
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL6469672 0.90 MMP13 (0.46) MMP13SLC22A8MAPTPOLB
SCHEMBL6229637 0.88 MMP13 (0.54) MMP13SLC22A8
SCHEMBL6273666 0.87 POLB (0.44) MMP13SLC22A8THRBMEN1KMT2A
SCHEMBL6271355 0.85 MMP13 (0.51) MMP13SLC22A8THRBMEN1KMT2A
SCHEMBL6437311 0.85 MMP13 (0.47) MMP13SLC22A8KDM4E
SCHEMBL6469669 0.84 MMP13 (0.45) MMP13SLC22A8MEN1KMT2AKDM4E
SCHEMBL6233684 0.82 MMP13 (0.49) MMP13SLC22A8
SCHEMBL6229954 0.80 MMP13 (0.47) MMP13SLC22A8
SCHEMBL6230789 0.79 MMP13 (0.43) MMP13KDM4E
SCHEMBL6699913 0.77 MMP13 (0.69) MMP13SLC22A8MEN1KMT2AKDM4E

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 15 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-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-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-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
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 1/4885SLC22A8 155/4885THRB 3490/4885
US-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 299/4885THRB 3594/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885THRB 3238/4885
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 MMP13 2/4885SLC22A8 1147/4885THRB 2474/4885
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 2/4885SLC22A8 147/4885THRB 3189/4885

“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.