SCHEMBL2869167

SCHEMBL2869167

CC(C)OC(=O)N(CC(C)(C)S)c1ccc2ncsc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE10A Q9Y233 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 2/20 0.36
NTRK2 Q16620 2/20 0.36
TGFBR1 P36897 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
POLB P06746 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
SCHEMBL3405114 0.84 NPC1 (0.46) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2866857 0.82 GFER (0.39) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2863749 0.81 NPC1 (0.40) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2859929 0.78 ALDH1A1 (0.40) NPC1RAB9APDE10AMEN1KMT2A
SCHEMBL2861476 0.77 NTRK1 (0.38) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2866036 0.75 ALDH1A1 (0.40) L3MBTL1PDE10AKMT2A
SCHEMBL2856663 0.74 PDE10A (0.33) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL16506622 0.69 PAX8 (0.48) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL3410313 0.68 NPC1 (0.46) NPC1RAB9AL3MBTL1KDM4EHKDC1
SCHEMBL2869166 0.67 EPHX2 (0.37) NPC1RAB9AL3MBTL1KDM4ETDP1

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
US-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 US disclosed
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1379243-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-14 EP disclosed
WO-2002066034-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO disclosed

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-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 NPC1 590/4885RAB9A 1607/4885L3MBTL1 818/4885

“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.