SCHEMBL3977844

SCHEMBL3977844

O=C(O)C(CC[Se]c1ccccc1)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.62
PPARA Q07869 12/20 0.62
SLC6A9 P48067 4/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNK2 O95069 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL6904391 0.97 PPARG (0.60) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL3967738 0.77 PPARG (0.62) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL21991773 0.76 PPARG (0.60) PPARGPPARASLC6A9PTPN1
SCHEMBL11302898 0.76 PPARG (0.68) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL4939482 0.75 PPARA (0.60) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL4939476 0.75 PPARA (0.60) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL16571566 0.75 PPARG (0.67) PPARGPPARASLC6A9PTPN1
SCHEMBL619783 0.75 PPARG (0.59) PPARGPPARASLC6A9PTPN1
SCHEMBL1343050 0.75 PPARG (0.59) PPARGPPARASLC6A9SLC6A2SLC6A4
SCHEMBL13418942 0.73 PPARG (0.57) PPARGPPARASLC6A9SLC6A2SLC6A4

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 3 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
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

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 PPARG 492/4885PPARA 425/4885SLC6A9 4123/4885

“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.