SCHEMBL6697068

SCHEMBL6697068

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2cc(C#CCc3ccccc3)oc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GPR18 Q14330 1/20 0.38
MAPT P10636 4/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6702588 0.93 MMP13 (0.39) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6698004 0.90 MAPT (0.41) MMP13SLC22A8MAPT
SCHEMBL6704878 0.86 MMP13 (0.48) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6703297 0.82 MMP13 (0.42) MMP13SLC22A8GPR18MAPTGRIN1
SCHEMBL6700340 0.80 MMP13 (0.44) MMP13SLC22A8GPR18MAPTADORA3
SCHEMBL6392558 0.79 MMP13 (0.72) MMP13SLC22A8PTGS1PTGS2
SCHEMBL6681942 0.78 MMP13 (0.46) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6843728 0.78 MMP13 (0.48) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6698891 0.78 PTGS1 (0.41) MMP13SLC22A8PTGS1PTGS2GPR18
SCHEMBL6700333 0.77 S1PR3 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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 (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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885PTGS1 41/4885

“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.