SCHEMBL6471817

SCHEMBL6471817

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3cc4ccccc4s3)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MMP13 P45452 1/20 0.41
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
TRPA1 O75762 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP3A4 P08684 1/20 0.37
PKM P14618 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 1/20 0.37

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 0.88 MMP13 (0.53) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6526803 0.85 MMP13 (0.43) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6730266 0.84 MAPT (0.44) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6258635 0.84 MMP13 (0.40) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6730796 0.84 MMP13 (0.49) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6533924 0.84 MMP13 (0.49) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6730750 0.84 KDM4E (0.42) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6529705 0.83 TSHR (0.53) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6474410 0.83 MMP13 (0.45) HSD17B10KDM4ETSHRALDH1A1MAPT
SCHEMBL6476942 0.83 MMP13 (0.48) MAPTLMNAMMP13KMT2AMEN1

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-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 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-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 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 HSD17B10 504/4885KDM4E 1577/4885TSHR 3353/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HSD17B10 231/4885KDM4E 476/4885TSHR 3857/4885
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 HSD17B10 193/4885KDM4E 559/4885TSHR 4247/4885

“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.