SCHEMBL6728256

SCHEMBL6728256

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccncc3)sc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.56
MMP13 P45452 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.42
PIK3CA P42336 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL6916681 0.91 TRPA1 (0.46) TRPA1MMP13SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7038032 0.91 TRPA1 (0.56) TRPA1MMP13SMN1; SMN2MAPK1SLC22A8
SCHEMBL7021132 0.90 TRPA1 (0.57) TRPA1MMP13SMN1; SMN2NPSR1SLC22A8
SCHEMBL6430172 0.90 TRPA1 (0.48) TRPA1MMP13SMN1; SMN2ALDH1A1LMNA
SCHEMBL6728070 0.88 TRPA1 (0.46) TRPA1MMP13SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6462371 0.88 MMP13 (0.52) TRPA1MMP13SLC22A8MAPT
SCHEMBL6465573 0.87 TRPA1 (0.46) TRPA1MMP13SMN1; SMN2SLC22A8EGFR
SCHEMBL7032080 0.86 CA2 (0.46) TRPA1SMN1; SMN2
SCHEMBL6245168 0.85 TRPA1 (0.62) TRPA1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL6462194 0.85 TRPA1 (0.43) TRPA1MMP13ALDH1A1SLC22A8

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 1/4885SMN1; SMN2 2160/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MMP13 1/4885SMN1; SMN2 1550/4885
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 1/4885SMN1; SMN2 941/4885

“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.