SCHEMBL3970938

SCHEMBL3970938

COC(=O)C(CCSc1ccccc1C)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
SLC6A9 P48067 5/20 0.40
PTPN1 P18031 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MTOR P42345 2/20 0.39
CYP3A4 P08684 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
OPRM1 P35372 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Pemaglitazar SCHEMBL29908544 0.89 PPARG (0.56) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL3971735 0.89 PPARG (0.56) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL3971139 0.89 PPARG (0.56) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL3971148 0.89 PPARG (0.56) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL6904072 0.87 PPARG (0.54) NPC1RAB9APPARGPPARASLC6A9
SCHEMBL11993063 0.87 PPARG (0.46) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL6904388 0.85 PPARG (0.52) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL6902223 0.85 PPARA (0.52) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL6904078 0.85 PPARG (0.52) NPC1RAB9APPARGPPARASLC6A9
Pemaglitazar SCHEMBL6902218 0.85 PPARA (0.52) NPC1RAB9APPARGPPARASLC6A9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
EP-1412326-B1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 US disclosed
EP-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 NPC1 207/4885RAB9A 2015/4885PPARG 492/4885

“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.