SCHEMBL2859926

SCHEMBL2859926

CC(C)CN(C(=O)Oc1ccc(S(N)(=O)=O)cc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.45
CA1 P00915 4/20 0.39
TP53 P04637 1/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 1/20 0.39
PKM P14618 1/20 0.38
CA9 Q16790 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
SCHEMBL2863746 0.87 EPHX2 (0.40) CA2
SCHEMBL2862832 0.87 CA2 (0.47) CA2CA1TP53CA12CA7
SCHEMBL2866853 0.85 MAPT (0.36) CA2
SCHEMBL2861331 0.84 MAPT (0.43) CA2
SCHEMBL2859668 0.84 GSK3B (0.37) CA2
SCHEMBL2868489 0.84 CA2 (0.42) CA2CA1TP53
SCHEMBL2868498 0.84 CA2 (0.43) CA2CA1CA12CA7
SCHEMBL2861770 0.83 EPHX2 (0.46) CA2CA1TP53CA12CA9
SCHEMBL2866713 0.83 EPHX2 (0.34) CA2
SCHEMBL3406418 0.82 CA2 (0.39) CA2CA1TP53CA12CA7

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 5 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US 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 834/4885TP53 2618/4885

“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.