SCHEMBL7017377

SCHEMBL7017377

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccc(OC)cc4)sc3n(C)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
RXFP1 Q9HBX9 2/20 0.49
CHRM4 P08173 1/20 0.47
MMP13 P45452 2/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TRPA1 O75762 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6462371 0.93 MMP13 (0.52) MAPTRXFP1CHRM4MMP13HDAC1
SCHEMBL6280233 0.91 MAPT (0.51) MAPTRXFP1MMP13TP53KDM4E
SCHEMBL6254102 0.91 TRPA1 (0.55) MAPTRXFP1TP53TRPA1SMN1; SMN2
SCHEMBL6257259 0.90 TRPA1 (0.54) MAPTRXFP1CHRM4HDAC1HDAC6
SCHEMBL6468099 0.90 RXFP1 (0.53) MAPTRXFP1CHRM4TP53KDM4E
SCHEMBL6470779 0.90 MAPT (0.51) MAPTRXFP1CHRM4MMP13HDAC1
SCHEMBL6426479 0.88 RXFP1 (0.49) MAPTRXFP1CHRM4TP53KDM4E
SCHEMBL6260961 0.88 MAPT (0.51) MAPTRXFP1CHRM4TP53KDM4E
SCHEMBL6253497 0.87 MAPT (0.53) MAPTRXFP1CHRM4TP53KDM4E
SCHEMBL6255559 0.87 MAPT (0.50) MAPTRXFP1CHRM4TP53KDM4E

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-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 MAPT 4800/4885RXFP1 173/4885CHRM4 4325/4885

“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.