SCHEMBL6445993

SCHEMBL6445993

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3cccnc3)sc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
TRPA1 O75762 2/20 0.50
ALDH1A1 P00352 5/20 0.48
HTT P42858 1/20 0.48
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 1/20 0.46
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARG Q86W56 1/20 0.42
MEN1 O00255 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
SCHEMBL6255943 0.96 HIF1A (0.48) HIF1ATRPA1ALDH1A1HTTPKM
SCHEMBL6472710 0.91 TRPA1 (0.49) HIF1ATRPA1ALDH1A1LMNAMAPT
SCHEMBL6256050 0.91 TRPA1 (0.49) HIF1ATRPA1ALDH1A1LMNAMAPT
SCHEMBL6252686 0.90 MMP13 (0.53) TRPA1ALDH1A1PKMLMNAMAPT
SCHEMBL6533260 0.89 TRPA1 (0.47) HIF1ATRPA1ALDH1A1HTTPKM
SCHEMBL6255158 0.88 HIF1A (0.44) HIF1ATRPA1ALDH1A1HTTPKM
SCHEMBL6730796 0.87 MMP13 (0.49) TRPA1ALDH1A1LMNAMAPTMMP13
SCHEMBL6533924 0.87 MMP13 (0.49) TRPA1ALDH1A1PKMLMNAMAPT
SCHEMBL6736951 0.86 TRPA1 (0.47) HIF1ATRPA1ALDH1A1HTTPKM
SCHEMBL6447147 0.86 ALDH1A1 (0.42) HIF1ATRPA1ALDH1A1HTTPKM

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 HIF1A 2757/4885TRPA1 3888/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HIF1A 3489/4885TRPA1 982/4885ALDH1A1 1764/4885
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 HIF1A 2939/4885TRPA1 671/4885ALDH1A1 878/4885

“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.