SCHEMBL6531795

SCHEMBL6531795

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)sc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.54
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
S1PR3 Q99500 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6258174 0.92 TRPA1 (0.54) TRPA1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6257817 0.90 TRPA1 (0.66) TRPA1MAPTSMN1; SMN2MAPK1
SCHEMBL6257784 0.89 TRPA1 (0.51) TRPA1MAPTSMN1; SMN2S1PR3GAA
SCHEMBL6701930 0.89 TRPA1 (0.54) TRPA1MAPTSMN1; SMN2S1PR3
SCHEMBL6449860 0.89 MAPT (0.56) TRPA1MAPTSMN1; SMN2
SCHEMBL6245168 0.88 TRPA1 (0.62) TRPA1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6476362 0.88 TRPA1 (0.55) TRPA1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6724983 0.86 TRPA1 (0.51) TRPA1MAPTALDH1A1LMNANPSR1
SCHEMBL6731246 0.86 TRPA1 (0.67) TRPA1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL6724869 0.85 TRPA1 (0.54) TRPA1MAPTSMN1; SMN2ALDH1A1NPSR1

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-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 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-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB 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 TRPA1 3888/4885MAPT 4800/4885SMN1; SMN2 2160/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MAPT 1345/4885SMN1; SMN2 1550/4885
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 TRPA1 671/4885MAPT 1774/4885SMN1; SMN2 941/4885

“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.