SCHEMBL6730347

SCHEMBL6730347

Cn1c(=O)n(Cc2ccc(S(N)(=O)=O)cc2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.45
CA1 P00915 8/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
MMP13 P45452 1/20 0.45
PARG Q86W56 2/20 0.42
ADORA2B P29275 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6260002 0.92 MAPK8 (0.46) MMP13PARGMEN1KMT2A
SCHEMBL6252686 0.91 MMP13 (0.53) MMP13ADORA2BMEN1KMT2APKM
SCHEMBL6914087 0.90 MMP13 (0.44) MMP13PARGMEN1KMT2A
SCHEMBL6916619 0.90 PARG (0.45) MMP13PARGMEN1KMT2A
SCHEMBL6730594 0.89 MMP13 (0.48) MMP13MEN1KMT2APKMRAB9A
SCHEMBL6533924 0.89 MMP13 (0.49) MMP13MEN1KMT2APKMRAB9A
SCHEMBL6730796 0.89 MMP13 (0.49) MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL6476942 0.88 MMP13 (0.48) MMP13MEN1KMT2A
SCHEMBL6470802 0.88 TRPA1 (0.48) MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL6724753 0.88 MMP13 (0.48) MMP13MEN1KMT2ARAB9A

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 CA2 213/4885CA1 553/4885CA12 804/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 CA2 21/4885CA1 110/4885CA12 45/4885
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 CA2 21/4885CA1 125/4885CA12 51/4885

“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.