SCHEMBL6237834

SCHEMBL6237834

Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
TSHR P16473 3/20 0.45
ESR1 P03372 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MMP13 P45452 1/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
PSMD14 O00487 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6261894 0.89 KDM4E (0.41) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6257382 0.88 BRD4 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6468536 0.86 MMP13 (0.42) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL7032450 0.84 MMP13 (0.41) HSD17B10ALDH1A1KDM4EESR1LMNA
SCHEMBL6237897 0.84 KDM4E (0.45) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6257907 0.82 KDM4E (0.42) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6259014 0.81 HSD17B10 (0.38) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6472987 0.81 HSD17B10 (0.48) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6254318 0.80 KDM4E (0.43) HSD17B10ALDH1A1MAPTKDM4EHPGD
SCHEMBL6257988 0.78 MMP13 (0.45) HSD17B10ALDH1A1MAPTKDM4EHPGD

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 7 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
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
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 (1 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 HSD17B10 504/4885ALDH1A1 812/4885MAPT 4800/4885

“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.