SCHEMBL6698886

SCHEMBL6698886

COc1cc(CNC(=O)c2cc3c(o2)CN(Cc2ccc(C(=O)O)cc2)C(=O)N3C)ccn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.51
TRPA1 O75762 1/20 0.40
EPHX2 P34913 5/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
WDR5 P61964 2/20 0.39
SLC22A8 Q8TCC7 1/20 0.37
PTGER4 P35408 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL6813882 0.92 MMP13 (0.44) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6822709 0.92 MMP13 (0.44) MMP13TRPA1WDR5PTGER4
SCHEMBL6288755 0.84 TP53 (0.45) MMP13EPHX2PTGER4NR1H4
SCHEMBL6696733 0.83 MMP13 (0.49) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6288950 0.72 MMP13 (0.50) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6289016 0.71 SCD (0.43) MMP13PTGER4
SCHEMBL6706820 0.71 MMP13 (0.57) MMP13SLC22A8PTGER4
SCHEMBL6698006 0.71 MMP13 (0.49) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6706798 0.71 MAPT (0.55) MMP13PTGER4NR1H4
SCHEMBL6348866 0.70 MMP13 (0.51) MMP13TRPA1EPHX2CDK2GSK3B

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 13/4885TRPA1 4283/4885EPHX2 113/4885

“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.