SCHEMBL3405074

SCHEMBL3405074

CC(C)CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.42
CA2 P00918 15/20 0.42
CA12 O43570 8/20 0.42
CA9 Q16790 8/20 0.42
PKM P14618 1/20 0.40
CA7 P43166 7/20 0.39
CA14 Q9ULX7 7/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CA4 P22748 1/20 0.37

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
SCHEMBL3406389 0.89 CA1 (0.44) CA1CA2CA12CA9CA7
SCHEMBL3403674 0.86 CA1 (0.45) CA1CA2CA12CA9CA7
SCHEMBL3403902 0.85 CA2 (0.34) CA1CA2CA12CA9CA7
SCHEMBL3404213 0.85 MAPT (0.35) CA2CA12CA9PKMALDH1A1
SCHEMBL3403300 0.85 MAPT (0.35) LMNAMAPT
SCHEMBL3403261 0.84 CA1 (0.50) CA1CA2CA12CA9CA7
SCHEMBL3406810 0.84 F2R (0.38) PKMALDH1A1LMNAMAPT
SCHEMBL3407702 0.84 MCHR1 (0.39) LMNAMAPT
SCHEMBL3406418 0.83 CA2 (0.39) CA1CA2CA12CA9CA7
SCHEMBL3409137 0.83 CA2 (0.42) CA1CA2CA12CA9PKM

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 CA1 834/4885CA2 297/4885CA12 1412/4885

“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.