SCHEMBL2861333

SCHEMBL2861333

CC(C)(S)CN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NTRK1 P04629 3/20 0.43
NTRK2 Q16620 3/20 0.43
PDE10A Q9Y233 5/20 0.38
LIPE Q05469 5/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL2866857 0.89 GFER (0.39) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2863749 0.88 NPC1 (0.40) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2861476 0.87 NTRK1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL2859669 0.86 SLC22A12 (0.40) MEN1KMT2ANPC1RAB9ANTRK1
SCHEMBL2859929 0.85 ALDH1A1 (0.40) MEN1KMT2ANPC1RAB9APDE10A
SCHEMBL2866715 0.84 PDE10A (0.37) MEN1KMT2ANPC1RAB9ANTRK1
SCHEMBL2862160 0.82 PDE10A (0.35) MEN1KMT2ANPC1RAB9ANTRK1
SCHEMBL2866036 0.81 ALDH1A1 (0.40) KMT2APDE10AALDH1A1L3MBTL1
SCHEMBL2855234 0.81 MEN1 (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL3409576 0.81 LIPE (0.36) MEN1KMT2APOLBNPC1RAB9A

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 MEN1 669/4885KMT2A 1536/4885POLB 3644/4885

“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.