SCHEMBL6472222

SCHEMBL6472222

COc1ccc(CC#Cc2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
ADORA3 P0DMS8 2/20 0.45
MAPT P10636 4/20 0.43
THRB P10828 1/20 0.43
RGS4 P49798 1/20 0.43
RGS8 P57771 1/20 0.43
MAPK1 P28482 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PIK3CD O00329 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL6724551 0.91 ALDH1A1 (0.48) MMP13SLC22A8L3MBTL1ALDH1A1ADORA3
SCHEMBL7038292 0.91 MMP13 (0.54) MMP13SLC22A8TDP1L3MBTL1ALDH1A1
SCHEMBL6916426 0.90 MAPT (0.53) MMP13SLC22A8TDP1L3MBTL1ALDH1A1
SCHEMBL6734552 0.89 MMP13 (0.51) MMP13SLC22A8TDP1ALDH1A1POLB
SCHEMBL6727824 0.89 MMP13 (0.51) MMP13SLC22A8ALDH1A1ADORA3MAPT
SCHEMBL6724795 0.89 PARG (0.42) MMP13SLC22A8TDP1L3MBTL1ALDH1A1
SCHEMBL6917313 0.88 MMP13 (0.50) MMP13SLC22A8TDP1L3MBTL1ALDH1A1
SCHEMBL6736580 0.88 MMP13 (0.50) MMP13SLC22A8ALDH1A1ADORA3MAPT
SCHEMBL6697974 0.88 MAPT (0.40) MMP13SLC22A8TDP1L3MBTL1ALDH1A1
SCHEMBL6472147 0.86 MMP13 (0.48) MMP13SLC22A8POLBADORA3MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US 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 MMP13 1/4885SLC22A8 605/4885TDP1 2109/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885TDP1 2876/4885
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 1/4885SLC22A8 123/4885TDP1 2450/4885

“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.