SCHEMBL2862836

SCHEMBL2862836

CC(CS)N(C(=O)Oc1ccc(S(N)(=O)=O)cc1)c1ccc2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PDE10A Q9Y233 5/20 0.38
CA2 P00918 5/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.35
FKBP1A P62942 1/20 0.35
FKBP5 Q13451 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PFKFB3 Q16875 1/20 0.35
CSF1R P07333 1/20 0.34

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
SCHEMBL2855118 0.86 NPC1 (0.41) ALDH1A1PKMRXFP1PDE10AMEN1
SCHEMBL2869557 0.85 GFER (0.40) ALDH1A1PDE10AMEN1NPC1RAB9A
SCHEMBL2866012 0.85 PDE10A (0.39) ALDH1A1RXFP1PDE10AMEN1NPC1
SCHEMBL2855234 0.84 MEN1 (0.44) ALDH1A1PDE10AMEN1NPC1RAB9A
SCHEMBL2859516 0.82 PDE10A (0.37) ALDH1A1PKMRXFP1PDE10AMEN1
SCHEMBL3409347 0.82 CA2 (0.36) RXFP1CYP3A4IRAK4CA2CA12
SCHEMBL3433640 0.81 MEN1 (0.37) ALDH1A1PKMRXFP1PDE10AMEN1
SCHEMBL2863729 0.81 NTRK1 (0.38) ALDH1A1PKMPDE10AMEN1NPC1
SCHEMBL2859929 0.80 ALDH1A1 (0.40) ALDH1A1PKMRXFP1CYP3A4IRAK4
SCHEMBL2864066 0.80 SMPD1 (0.37) PDE10AMEN1NPC1RAB9AKMT2A

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 ALDH1A1 146/4885PKM 426/4885RXFP1 1541/4885

“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.