SCHEMBL6694976

SCHEMBL6694976

O=C(NCc1ccccc1)C1=Cc2c(ncn(Cc3ccc(C(=O)O)cc3)c2=O)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.57
SLC22A8 Q8TCC7 1/20 0.47
PTGER4 P35408 2/20 0.46

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
SCHEMBL6818624 0.85 MMP13 (0.43) MMP13SLC22A8PTGER4
SCHEMBL6702257 0.80 MMP13 (0.57) MMP13SLC22A8PTGER4
SCHEMBL6699466 0.77 MMP13 (0.57) MMP13SLC22A8
SCHEMBL6704257 0.74 MMP13 (0.57) MMP13SLC22A8PTGER4
SCHEMBL6704350 0.73 MMP13 (0.58) MMP13SLC22A8PTGER4
SCHEMBL6702032 0.73 MMP13 (0.66) MMP13SLC22A8PTGER4
SCHEMBL6701749 0.73 MMP13 (0.66) MMP13SLC22A8PTGER4
SCHEMBL6702268 0.73 MMP13 (0.51) MMP13SLC22A8PTGER4
SCHEMBL8312576 0.72 MMP13 (1.00) MMP13SLC22A8PTGER4
SCHEMBL6700076 0.72 MMP13 (0.57) MMP13SLC22A8PTGER4

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 2959/4885PTGER4 1609/4885

“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.