SCHEMBL6735953

SCHEMBL6735953

Cn1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2cc(C#CCc3cccc(Cl)c3)sc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.41
MMP13 P45452 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MAPT P10636 3/20 0.39
PPARG P37231 1/20 0.39
MAPK8 P45983 4/20 0.39
KMT2A Q03164 1/20 0.38
PDE1B Q01064 1/20 0.37
POLB P06746 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
SCHEMBL6526069 0.91 PARG (0.40) PARGMMP13SLC22A8MAPTKMT2A
SCHEMBL6724934 0.91 PARG (0.40) PARGMMP13SLC22A8MAPTMAPK8
SCHEMBL6730373 0.90 PARG (0.41) PARGMMP13SLC22A8MAPTMAPK8
SCHEMBL6471873 0.90 ALDH1A1 (0.45) PARGMMP13SLC22A8MAPK8KMT2A
SCHEMBL6724637 0.90 MAPT (0.49) MMP13SLC22A8MAPTMAPK8KMT2A
SCHEMBL6733115 0.89 MAPT (0.42) PARGMMP13SLC22A8MAPTKMT2A
SCHEMBL6528204 0.89 MMP13 (0.38) PARGMMP13SLC22A8MAPTMAPK8
SCHEMBL6913822 0.87 PTGDR2 (0.41) PARGMMP13SLC22A8
SCHEMBL6916560 0.86 PARG (0.39) PARGMMP13SLC22A8MAPTMAPK8
SCHEMBL6472619 0.86 PARG (0.41) PARGMMP13SLC22A8PDE1B

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
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
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
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 PARG 4614/4885MMP13 1/4885SLC22A8 605/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PARG 3777/4885MMP13 1/4885SLC22A8 159/4885
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 PARG 4024/4885MMP13 1/4885SLC22A8 123/4885

“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.