SCHEMBL6733093

SCHEMBL6733093

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3cccc(OC(F)F)c3)sc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.44
MMP13 P45452 4/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.42
PTGER4 P35408 2/20 0.41
KLKB1 P03952 1/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6916309 0.91 MMP13 (0.55) TRPA1MMP13MAPTGAAPTGER4
SCHEMBL6735506 0.90 MAPT (0.41) TRPA1MMP13MAPTGAAKLKB1
SCHEMBL6474162 0.85 MAPT (0.56) TRPA1MAPTGAA
SCHEMBL6280233 0.84 MAPT (0.51) TRPA1MMP13MAPTGAASMN1; SMN2
SCHEMBL6462371 0.84 MMP13 (0.52) TRPA1MMP13MAPTSLC22A8PTGER4
SCHEMBL7021132 0.84 TRPA1 (0.57) TRPA1MMP13MAPTSLC22A8PTGER4
SCHEMBL7038032 0.83 TRPA1 (0.56) TRPA1MMP13MAPTSLC22A8PTGER4
SCHEMBL7032480 0.83 MAPT (0.51) TRPA1MAPTGAA
SCHEMBL6272722 0.82 NR1H4 (0.51) MAPTPPARGSMN1; SMN2
SCHEMBL6430172 0.82 TRPA1 (0.48) TRPA1MMP13MAPTGAASLC22A8

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (3 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TRPA1 3888/4885MMP13 1/4885MAPT 4800/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MMP13 1/4885MAPT 1345/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 671/4885MMP13 1/4885MAPT 1774/4885

“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.