SCHEMBL6532168

SCHEMBL6532168

COc1cccc(CNC(=O)c2cc3c(=O)n(CCS(=O)(=O)c4ccc(Cl)cc4Cl)c(=O)n(C)c3s2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
GAA P10253 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
TP53 P04637 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL6239791 0.90 MAPT (0.48) MAPTGAAMALT1TP53KDM4E
SCHEMBL6473174 0.85 TP53 (0.51) MAPTGAATP53KDM4EHPGD
SCHEMBL6473407 0.84 MAPT (0.52) MAPTGAATP53KDM4EHPGD
SCHEMBL6254361 0.83 MAPT (0.50) MAPTGAAMALT1TP53KDM4E
SCHEMBL6470967 0.82 MAPT (0.48) MAPTGAAMALT1TP53KDM4E
SCHEMBL6733097 0.81 MAPT (0.47) MAPTGAATP53KDM4EHPGD
SCHEMBL6474162 0.81 MAPT (0.56) MAPTGAATP53KDM4EHPGD
SCHEMBL6258764 0.81 MAPT (0.56) MAPTGAATP53KDM4EHPGD
SCHEMBL6233542 0.81 MAPT (0.56) MAPTTP53KDM4EHPGDRXFP1
SCHEMBL6464045 0.81 MAPT (0.56) MAPTGAATP53KDM4EHPGD

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 10 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
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 MAPT 4800/4885GAA 3750/4885MALT1 1927/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885GAA 694/4885MALT1 2540/4885
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 MAPT 1774/4885GAA 1012/4885MALT1 1810/4885

“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.