SCHEMBL6477930

SCHEMBL6477930

COc1cc(CNC(=O)c2cn3cc(Cc4ccc(C(=O)O)cc4)c(=O)c(C)c3o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.48
TRPA1 O75762 1/20 0.42
EPHX2 P34913 5/20 0.38
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
NR1H4 Q96RI1 3/20 0.37
EGLN1 Q9GZT9 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL6819192 0.88 MMP13 (0.41) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6487515 0.85 MMP13 (0.46) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6288950 0.79 MMP13 (0.50) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6819195 0.76 LOXL2 (0.40) MMP13TRPA1
SCHEMBL6348866 0.75 MMP13 (0.51) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6819189 0.74 KDM5A (0.37)
SCHEMBL6843459 0.71 MMP13 (0.52) MMP13EPHX2NR1H4
SCHEMBL6194845 0.71 MMP13 (0.48) MMP13EPHX2NR1H4
SCHEMBL6194250 0.71 NR1H4 (0.52) MMP13EPHX2CDK2GSK3BNR1H4
SCHEMBL6191969 0.71 MMP13 (0.48) MMP13EPHX2NR1H4

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 7/4885TRPA1 4030/4885EPHX2 176/4885

“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.