SCHEMBL6916560

SCHEMBL6916560

Cn1c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c(=O)c2cc(C#CCc3ccc(Br)cc3)sc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 4/20 0.39
MMP13 P45452 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.36
PTGS2 P35354 1/20 0.36
PKM P14618 2/20 0.36
PKLR P30613 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
STAT6 P42226 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL6724934 0.91 PARG (0.40) PARGMMP13SLC22A8MAPK8PTGDR2
SCHEMBL6913822 0.91 PTGDR2 (0.41) PARGMMP13SLC22A8PTGDR2PKM
SCHEMBL6471873 0.91 ALDH1A1 (0.45) PARGMMP13SLC22A8MAPK8MAPK9
SCHEMBL6472619 0.91 PARG (0.41) PARGMMP13SLC22A8PTGDR2PTGS2
SCHEMBL6524088 0.89 PARG (0.38) PARGMMP13SLC22A8MAPK8PTGDR2
SCHEMBL6724795 0.89 PARG (0.42) PARGMMP13SLC22A8MAPK8PTGS2
SCHEMBL6736580 0.88 MMP13 (0.50) MMP13SLC22A8PKMALDH1A1HIF1A
SCHEMBL6727479 0.88 SRC (0.40) PARGMMP13SLC22A8PTGDR2PKM
SCHEMBL6735953 0.86 PARG (0.41) PARGMMP13SLC22A8MAPK8KMT2A
SCHEMBL6526069 0.86 PARG (0.40) PARGMMP13SLC22A8PTGDR2PKM

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 3 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-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
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 PARG 4614/4885MMP13 1/4885SLC22A8 605/4885
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.