SCHEMBL6730265

SCHEMBL6730265

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccc(Cl)cc3)sc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
TRPA1 O75762 3/20 0.48
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.41

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
SCHEMBL6476942 1.00 MMP13 (0.48) MMP13TRPA1TP53MEN1KMT2A
SCHEMBL6252686 0.95 MMP13 (0.53) MMP13TRPA1MEN1KMT2AMAPT
SCHEMBL6730796 0.93 MMP13 (0.49) MMP13TRPA1MEN1KMT2AMAPT
SCHEMBL6533924 0.93 MMP13 (0.49) MMP13TRPA1MEN1KMT2AHDAC6
SCHEMBL6256668 0.92 MAPT (0.48) MMP13TRPA1TP53KMT2AMAPT
SCHEMBL6724753 0.92 MMP13 (0.48) MMP13TRPA1MEN1KMT2AMAPT
SCHEMBL6470802 0.92 TRPA1 (0.48) MMP13TRPA1MEN1KMT2AHDAC6
SCHEMBL6258183 0.92 MMP13 (0.48) MMP13TRPA1MEN1KMT2AMAPT
SCHEMBL6729997 0.92 MMP13 (0.46) MMP13TRPA1MEN1KMT2AMAPT
SCHEMBL6477107 0.91 MAPT (0.47) MMP13TRPA1TP53KMT2AMAPT

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
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-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
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 1/4885TRPA1 3888/4885TP53 4652/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885TRPA1 982/4885TP53 1698/4885
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 1/4885TRPA1 671/4885TP53 2718/4885

“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.