SCHEMBL6843728

SCHEMBL6843728

Cn1c(=O)n(Cc2ccc(F)c(F)c2)c(=O)c2cc(C#CCc3ccccc3)[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
PDE3B Q13370 6/20 0.43
PDE3A Q14432 6/20 0.43
LGMN Q99538 1/20 0.42
GPR18 Q14330 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL6392558 0.81 MMP13 (0.72) MMP13SLC22A8PTGS1PTGS2
SCHEMBL6701186 0.81 MMP13 (0.41) MMP13SLC22A8PDE3BPDE3ALGMN
SCHEMBL6697068 0.78 MMP13 (0.46) MMP13SLC22A8GPR18PTGS1PTGS2
SCHEMBL6681942 0.78 MMP13 (0.46) MMP13SLC22A8GPR18PTGS1PTGS2
SCHEMBL8340699 0.78 PDE3B (0.43) PDE3BPDE3ALGMNGPR18PTGS1
SCHEMBL8340646 0.77 PTGS1 (0.41) MMP13SLC22A8PDE3BPDE3ALGMN
SCHEMBL6704878 0.77 MMP13 (0.48) MMP13SLC22A8GPR18PTGS1PTGS2
SCHEMBL6682303 0.76 S1PR3 (0.47) GPR18
SCHEMBL6814878 0.76 ALDH1A1 (0.41) MMP13SLC22A8LGMNADORA3
SCHEMBL6700340 0.76 MMP13 (0.44) MMP13SLC22A8GPR18ADORA3ADORA2B

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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 MMP13 1/4885SLC22A8 1004/4885PDE3B 557/4885

“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.