SCHEMBL6916619

SCHEMBL6916619

CNS(=O)(=O)c1ccc(Cn2c(=O)c3cc(C(=O)OCc4ccccc4)sc3n(C)c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 5/20 0.45
MMP13 P45452 1/20 0.44
TRPA1 O75762 4/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MAPK8 P45983 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR18 Q14330 1/20 0.38
MAPK9 P45984 1/20 0.37

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
SCHEMBL6260002 0.90 MAPK8 (0.46) PARGMMP13TRPA1MAPK8MEN1
SCHEMBL6730347 0.90 CA2 (0.45) PARGMMP13MEN1KMT2A
SCHEMBL6252686 0.89 MMP13 (0.53) MMP13TRPA1KDM4EALDH1A1MAPT
SCHEMBL6914087 0.88 MMP13 (0.44) PARGMMP13TRPA1ALDH1A1MEN1
SCHEMBL6916980 0.88 MMP13 (0.46) MMP13TRPA1KDM4EALDH1A1MAPT
SCHEMBL6730796 0.87 MMP13 (0.49) MMP13TRPA1KDM4EALDH1A1MAPT
SCHEMBL6533924 0.87 MMP13 (0.49) MMP13TRPA1KDM4EALDH1A1MAPT
SCHEMBL6476942 0.86 MMP13 (0.48) MMP13TRPA1MAPTMEN1KMT2A
SCHEMBL6470802 0.86 TRPA1 (0.48) MMP13TRPA1KDM4EALDH1A1MAPT
SCHEMBL6258183 0.86 MMP13 (0.48) MMP13TRPA1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
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
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 (2 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 PARG 4614/4885MMP13 1/4885TRPA1 3888/4885
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 PARG 4024/4885MMP13 1/4885TRPA1 671/4885

“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.