SCHEMBL6233970

SCHEMBL6233970

CC(c1ccc(C(=O)O)cc1)n1c(=O)[nH]c2sc(C(=O)NCc3ccncc3)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
MMP13 P45452 2/20 0.41
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
PTAFR P25105 1/20 0.38
NAMPT P43490 1/20 0.38
PTGER4 P35408 1/20 0.38
PIK3CA P42336 1/20 0.38
TBXAS1 P24557 1/20 0.38
CSNK2A2 P19784 2/20 0.38
KDR P35968 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
PLK1 P53350 1/20 0.38
AKT1 P31749 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL6465586 0.92 PTAFR (0.41) LMNAPTAFRTBXAS1KDRPLK1
SCHEMBL6233697 0.90 RXFP1 (0.42) TRPA1MMP13LMNAPTGER4SMN1; SMN2
SCHEMBL6239877 0.90 RXFP1 (0.41) PTGER4CSNK2A2KDRCSNK2BCSNK2A1
SCHEMBL6236005 0.90 B3GNT2 (0.46) TRPA1MMP13PTGER4KDRSMN1; SMN2
SCHEMBL6238348 0.88 DCLK1 (0.47) PTGER4MAPKAPK2GAASMN1; SMN2ALDH1A1
SCHEMBL6232987 0.88 MAPT (0.48) MMP13PTGER4KDRMAPKAPK2SMN1; SMN2
SCHEMBL6238762 0.87 EPHX2 (0.41) NAMPTPTGER4CSNK2A2KDRCSNK2B
SCHEMBL6236399 0.87 CA2 (0.42)
SCHEMBL6462193 0.86 MLYCD (0.40) MMP13PTGER4GAAALDH1A1
SCHEMBL6272724 0.85 NR1H4 (0.47) LMNARECQLSMN1; SMN2RXFP1

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-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB 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-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC 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 3888/4885MMP13 1/4885LMNA 1210/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MMP13 1/4885LMNA 4372/4885
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 671/4885MMP13 1/4885LMNA 4296/4885

“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.