SCHEMBL6462371

SCHEMBL6462371

COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.52
MAPT P10636 5/20 0.52
SLC22A8 Q8TCC7 1/20 0.50
PTGER4 P35408 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CHRM4 P08173 1/20 0.47
TRPA1 O75762 2/20 0.46
HDAC1 Q13547 2/20 0.46
KDR P35968 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL7017377 0.93 MAPT (0.52) MMP13MAPTRXFP1CHRM4TRPA1
SCHEMBL6254102 0.93 TRPA1 (0.55) MAPTRXFP1TRPA1KDRMAPKAPK2
SCHEMBL6916309 0.91 MMP13 (0.55) MMP13MAPTPTGER4TRPA1KDR
SCHEMBL6257259 0.90 TRPA1 (0.54) MAPTRXFP1CHRM4TRPA1HDAC1
SCHEMBL7038032 0.90 TRPA1 (0.56) MMP13MAPTSLC22A8PTGER4RXFP1
SCHEMBL6470779 0.90 MAPT (0.51) MMP13MAPTRXFP1CHRM4TRPA1
SCHEMBL6272722 0.89 NR1H4 (0.51) MAPTRXFP1
SCHEMBL6430172 0.89 TRPA1 (0.48) MMP13MAPTSLC22A8RXFP1TRPA1
SCHEMBL7021132 0.89 TRPA1 (0.57) MMP13MAPTSLC22A8PTGER4RXFP1
SCHEMBL6728256 0.88 TRPA1 (0.56) MMP13MAPTSLC22A8TRPA1

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 6 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
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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US 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 MMP13 1/4885MAPT 4800/4885SLC22A8 605/4885

“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.