SCHEMBL6497137

SCHEMBL6497137

COc1ccc(C#CCN2CCc3ncn(Cc4ccc(S(N)(=O)=O)cc4)c(=O)c3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 4/20 0.44
MMP13 P45452 4/20 0.44
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
CA7 P43166 3/20 0.41
PTGS2 P35354 1/20 0.38
CYP11B2 P19099 1/20 0.38
TP53 P04637 1/20 0.35
GRIN1 Q05586 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6497074 0.93 CLPP (0.45) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6487816 0.93 CLPP (0.45) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6493997 0.92 CLPP (0.50) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6498893 0.91 CLPP (0.44) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6489133 0.89 CLPP (0.51) CLPPMMP13CA1CA2CA9
SCHEMBL6490318 0.89 CLPP (0.47) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6490608 0.88 CLPP (0.47) CLPPMMP13CYP11B2
SCHEMBL6487309 0.88 CLPP (0.55) CLPPMMP13CYP11B2GRIN1RXFP1
SCHEMBL6497781 0.88 CLPP (0.52) CLPPMMP13CYP11B2
SCHEMBL6487777 0.88 CLPP (0.50) CLPPMMP13CYP11B2

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-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 CLPP 3602/4885MMP13 3/4885CA1 925/4885

“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.