SCHEMBL6736358

SCHEMBL6736358

COc1cc(CNC(=O)c2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.49
ABCB1 P08183 1/20 0.47
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
ABL1 P00519 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RIN1 Q13671 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6472324 0.91 RXFP1 (0.54) TRPA1MAPTTP53KMT2ARXFP1
SCHEMBL6730230 0.89 TRPA1 (0.52) TRPA1MAPTKDM4EHPGDABL1
SCHEMBL6724900 0.89 CYP1A2 (0.50) TRPA1MAPTTP53RXFP1KDM4E
SCHEMBL6245168 0.88 TRPA1 (0.62) TRPA1MAPTRXFP1KDM4EHPGD
SCHEMBL6532025 0.88 CYP1A2 (0.57) TRPA1MAPTTP53KMT2ARXFP1
SCHEMBL6254102 0.87 TRPA1 (0.55) TRPA1MAPTTP53RXFP1
SCHEMBL6474162 0.86 MAPT (0.56) TRPA1MAPTTP53RXFP1KDM4E
SCHEMBL6476362 0.86 TRPA1 (0.55) TRPA1MAPTKDM4EHPGDABL1
SCHEMBL6470775 0.85 MAPT (0.56) TRPA1MAPTTP53RXFP1CYP1A2
SCHEMBL6272722 0.84 NR1H4 (0.51) MAPTTP53KMT2ARXFP1

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 TRPA1 3888/4885MAPT 4800/4885TP53 4652/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MAPT 1345/4885TP53 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 TRPA1 671/4885MAPT 1774/4885TP53 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.