SCHEMBL3409347

SCHEMBL3409347

CC(CS)N(C(=O)Oc1ccc(S(N)(=O)=O)cc1)c1ccc2ncsc2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.36
CA1 P00915 12/20 0.35
CA9 Q16790 10/20 0.35
CA12 O43570 9/20 0.35
KDM4E B2RXH2 1/20 0.33
CA7 P43166 6/20 0.32
CA4 P22748 2/20 0.32
CYP3A4 P08684 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL3407194 0.87 MAPT (0.32) KDM4E
SCHEMBL3405645 0.85 ABHD6 (0.30)
SCHEMBL3404966 0.84 MMP2 (0.36)
SCHEMBL3408864 0.84 LIPE (0.35) KDM4EIRAK4
SCHEMBL3409796 0.83 KMT2A (0.35)
SCHEMBL2862836 0.82 ALDH1A1 (0.40) CA2CA1CA9CA12CA7
SCHEMBL3405072 0.81 IRAK4 (0.32) IRAK4
SCHEMBL3407756 0.80 SMPD1 (0.34)
SCHEMBL3406420 0.80 CA2 (0.36) CA2CA1CA9CA12KDM4E
SCHEMBL3409343 0.76 CA2 (0.41) CA2CA1CA9CA12KDM4E

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.