SCHEMBL6472147

SCHEMBL6472147

CSc1ccc(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
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
BRAF P15056 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6470701 0.91 MMP13 (0.44) MMP13SLC22A8ADORA3ADORA2BCYP3A4
SCHEMBL7036328 0.91 MMP13 (0.54) MMP13SLC22A8TP53MAPTRXFP1
SCHEMBL6730469 0.90 MAPT (0.40) MMP13SLC22A8HPGDTP53MAPT
SCHEMBL6734552 0.89 MMP13 (0.51) MMP13SLC22A8HPGDMAPTMEN1
SCHEMBL6727824 0.89 MMP13 (0.51) MMP13SLC22A8ADORA3ADORA2BTP53
SCHEMBL6524088 0.89 PARG (0.38) MMP13SLC22A8MEN1KMT2A
SCHEMBL6736580 0.88 MMP13 (0.50) MMP13SLC22A8ADORA3ADORA2BCYP3A4
SCHEMBL6917313 0.88 MMP13 (0.50) MMP13SLC22A8TP53MAPT
SCHEMBL6472222 0.86 MMP13 (0.48) MMP13SLC22A8ADORA3MAPTRXFP1
SCHEMBL6265426 0.86 MMP13 (0.48) MMP13SLC22A8ADORA3ADORA2BMAPT

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 5 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-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
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 (2 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 605/4885ADORA3 1081/4885
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 123/4885ADORA3 1784/4885

“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.