SCHEMBL6663871

SCHEMBL6663871

O=C(O)CCCc1cccc(CC#Cc2ccc3ncn(Cc4ccc(F)c(F)c4)c(=O)c3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.63
PDPK1 O15530 8/20 0.48

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
SCHEMBL6298027 0.86 MMP13 (0.81) MMP13PDPK1
SCHEMBL5697074 0.78 MMP13 (1.00) MMP13PDPK1
SCHEMBL6427533 0.78 MMP13 (0.82) MMP13
SCHEMBL5696853 0.77 MMP13 (0.73) MMP13PDPK1
SCHEMBL6302703 0.77 MMP13 (0.84) MMP13
SCHEMBL6297353 0.77 MMP13 (1.00) MMP13
SCHEMBL5696895 0.76 MMP13 (1.00) MMP13
SCHEMBL5697007 0.75 MMP13 (1.00) MMP13
SCHEMBL6296178 0.74 MMP13 (0.82) MMP13
SCHEMBL6302830 0.74 MMP13 (0.82) MMP13

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 4 patents. 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 claimed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX 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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 MMP13 1/4885PDPK1 3610/4885

“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.