SCHEMBL6725010

SCHEMBL6725010

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCCc3ccncc3)sc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.38
PARG Q86W56 1/20 0.38
MMP13 P45452 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL6730103 0.94 TRPA1 (0.42) TRPA1MEN1KMT2AMMP13
SCHEMBL6256050 0.91 TRPA1 (0.49) TRPA1MEN1KMT2AHIF1AMMP13
SCHEMBL6472710 0.91 TRPA1 (0.49) TRPA1MEN1KMT2AHIF1AMMP13
SCHEMBL6725667 0.90 TRPA1 (0.47) TRPA1MEN1KMT2A
SCHEMBL6729988 0.90 ESR1 (0.44) TRPA1MEN1KMT2AMMP13
SCHEMBL6724812 0.89 TRPA1 (0.47) TRPA1
SCHEMBL6734162 0.89 TRPA1 (0.41) TRPA1MEN1KMT2AMMP13
SCHEMBL6735464 0.88 KDM4E (0.44) TRPA1KMT2AMMP13ADORA2B
SCHEMBL6255320 0.87 TRPA1 (0.49) TRPA1MEN1KMT2AADORA3ADORA2B
SCHEMBL6526000 0.86 TSHR (0.43) TRPA1MEN1KMT2AMMP13

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 3888/4885MEN1 3056/4885KMT2A 1976/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MEN1 4353/4885KMT2A 1264/4885
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 671/4885MEN1 4110/4885KMT2A 1331/4885

“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.