SCHEMBL2866439

SCHEMBL2866439

NS(=O)(=O)c1ccc(OC(=O)N(CC(S)CCc2nn[nH]n2)c2ccc3ncsc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
KEAP1 Q14145 4/20 0.32
NFE2L2 Q16236 3/20 0.32
CYP3A4 P08684 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
PDE10A Q9Y233 1/20 0.30
FKBP1A P62942 1/20 0.30
FKBP5 Q13451 1/20 0.30

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
SCHEMBL2859560 0.89 TDP1 (0.33) RXFP1PKMPDE10A
SCHEMBL2863660 0.88 KDM4E (0.34) RXFP1ALDH1A1PDE10A
SCHEMBL2866246 0.88 ALDH1A1 (0.34) ALDH1A1PDE10A
SCHEMBL2863098 0.87 NTRK1 (0.37)
SCHEMBL2867053 0.87 CYSLTR1 (0.31) RXFP1ALDH1A1PDE10A
SCHEMBL3406285 0.85 KEAP1 (0.32) KEAP1
SCHEMBL2857237 0.85 NTRK1 (0.34)
SCHEMBL2860764 0.84 SCN9A (0.30)
SCHEMBL3409812 0.83 NAALAD2 (0.38) ALDH1A1PDE10A
SCHEMBL2866438 0.75 CA2 (0.37) RXFP1

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 RXFP1 1541/4885KEAP1 716/4885NFE2L2 1832/4885

“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.