SCHEMBL7032080

SCHEMBL7032080

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)sc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.46
CA1 P00915 6/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
TRPA1 O75762 4/20 0.45
PPARG P37231 1/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6724994 0.93 TRPA1 (0.53) CA2CA1TRPA1PPARGCA12
SCHEMBL6465573 0.92 TRPA1 (0.46) EPHX2NR1H4TRPA1PPARGSMN1; SMN2
SCHEMBL6255559 0.89 MAPT (0.50) CA2CA1TRPA1CA12CA9
SCHEMBL7038032 0.88 TRPA1 (0.56) TRPA1SMN1; SMN2
SCHEMBL6430172 0.87 TRPA1 (0.48) TRPA1PPARGKDM4EGAASMN1; SMN2
SCHEMBL7021132 0.87 TRPA1 (0.57) TRPA1POLBSMN1; SMN2
SCHEMBL6728256 0.86 TRPA1 (0.56) TRPA1SMN1; SMN2
SCHEMBL6462371 0.86 MMP13 (0.52) TRPA1
SCHEMBL6728070 0.86 TRPA1 (0.46) TRPA1PPARGKDM4EPOLBSMN1; SMN2
SCHEMBL6254940 0.85 TRPA1 (0.53) CA2CA1TRPA1KDM4ESMN1; SMN2

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 2 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-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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 CA2 213/4885CA1 553/4885EPHX2 1214/4885

“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.