SCHEMBL6471978

SCHEMBL6471978

CC(c1ccc(C(=O)O)cc1)n1c(=O)[nH]c2sc(C#CCc3cccc(F)c3)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
NR4A2 P43354 1/20 0.35
PTGER4 P35408 3/20 0.34
NLRP3 Q96P20 1/20 0.33
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
TAS2R14 Q9NYV8 2/20 0.32
MAPT P10636 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER2 P43116 1/20 0.31

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
SCHEMBL6912473 0.91 MMP13 (0.38) MMP13SLC22A8PTGER4TRPM8HSD11B1
SCHEMBL6471042 0.91 MMP13 (0.36) MMP13SLC22A8PTGER4MAPK1TAS2R14
SCHEMBL6461412 0.90 MMP13 (0.36) MMP13SLC22A8PTGER4MAPK1MEN1
SCHEMBL6913360 0.90 PTGER4 (0.41) MMP13SLC22A8PTGER4RXRAPTGER2
SCHEMBL6730190 0.89 MMP13 (0.40) MMP13SLC22A8PTGER4TAS2R14PTGER2
SCHEMBL6730251 0.89 MMP13 (0.35) MMP13SLC22A8MAPK1MAPT
SCHEMBL6916599 0.86 MMP13 (0.38) MMP13SLC22A8PTGER4MAPK1MAPT
SCHEMBL7035441 0.86 MMP13 (0.35) MMP13SLC22A8PTGER4MAPK1
SCHEMBL6736341 0.85 MMP13 (0.39) MMP13SLC22A8PTGER4MAPK1PTGER2
SCHEMBL6733045 0.85 MMP13 (0.37) MMP13SLC22A8RXRAMAPK1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885SLC22A8 605/4885NR4A2 366/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885NR4A2 2981/4885
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 MMP13 1/4885SLC22A8 123/4885NR4A2 2692/4885

“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.