SCHEMBL6258635

SCHEMBL6258635

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3cc4ccccc4o3)sc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TRPA1 O75762 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 1/20 0.36
USP2 O75604 1/20 0.36
AGXT P21549 1/20 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
SCHEMBL6252686 0.86 MMP13 (0.53) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6471817 0.84 HSD17B10 (0.42) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6736639 0.83 KDM4E (0.43) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6252506 0.83 MMP13 (0.41) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6730266 0.83 MAPT (0.44) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6533924 0.82 MMP13 (0.49) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6730796 0.82 MMP13 (0.49) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6529705 0.82 TSHR (0.53) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL6474410 0.82 MMP13 (0.45) MMP13ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6526803 0.82 MMP13 (0.43) MMP13ALDH1A1HSD17B10HPGDTSHR

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 MMP13 1/4885ALDH1A1 812/4885HSD17B10 504/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ALDH1A1 1764/4885HSD17B10 231/4885
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 MMP13 1/4885ALDH1A1 878/4885HSD17B10 193/4885

“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.