SCHEMBL6288950

SCHEMBL6288950

COc1cc(CNC(=O)c2cc3cc(Cc4ccc(C(=O)O)cc4)c(=O)n(C)c3o2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.50
TRPA1 O75762 1/20 0.40
EPHX2 P34913 4/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC22A8 Q8TCC7 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
SCHEMBL6348866 0.88 MMP13 (0.51) MMP13TRPA1EPHX2EGLN1CDK2
SCHEMBL6477930 0.79 MMP13 (0.48) MMP13TRPA1EPHX2EGLN1CDK2
SCHEMBL6194845 0.76 MMP13 (0.48) MMP13EPHX2NR1H4LMNA
SCHEMBL6191969 0.75 MMP13 (0.48) MMP13EPHX2NR1H4LMNAMAPT
SCHEMBL6487515 0.75 MMP13 (0.46) MMP13TRPA1EPHX2EGLN1CDK2
SCHEMBL6843459 0.74 MMP13 (0.52) MMP13EPHX2NR1H4
SCHEMBL6194250 0.74 NR1H4 (0.52) MMP13EPHX2CDK2GSK3BNR1H4
SCHEMBL6196444 0.72 MMP13 (0.54) MMP13EPHX2NR1H4LMNAMAPT
SCHEMBL6698886 0.72 MMP13 (0.51) MMP13TRPA1EPHX2CDK2GSK3B
SCHEMBL6292169 0.72 MMP13 (0.50) MMP13CDK2GSK3BNR1H4LMNA

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
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 9/4885TRPA1 4097/4885EPHX2 212/4885

“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.