SCHEMBL3406418

SCHEMBL3406418

CC(C)CN(C(=O)Oc1ccc(S(N)(=O)=O)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.39
CA1 P00915 6/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 3/20 0.33
TP53 P04637 1/20 0.33
PLG P00747 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA4 P22748 2/20 0.31

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
SCHEMBL3408965 0.89 CA2 (0.41) CA2CA1CA9CA12CA7
SCHEMBL3404301 0.86 BCHE (0.33) CA2KDM4E
SCHEMBL3409343 0.86 CA2 (0.41) CA2CA1CA9CA12CA7
SCHEMBL3403902 0.85 CA2 (0.34) CA2CA1CA9CA12CA7
SCHEMBL3404345 0.85
SCHEMBL3405694 0.84 CA2 (0.45) CA2CA1CA9CA12CA7
SCHEMBL3410046 0.84 MAPT (0.36) KDM4E
SCHEMBL3403339 0.84 SCN9A (0.33) TP53
SCHEMBL3405074 0.83 CA1 (0.42) CA2CA1CA9CA12CA7
SCHEMBL3404311 0.83 CA2 (0.37) CA2CA1CA9CA12CA4

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 CA2 297/4885CA1 834/4885CA9 240/4885

“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.