SCHEMBL3978556

SCHEMBL3978556

Cc1ccc(SCCC(Oc2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.53
PPARA Q07869 5/20 0.53
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL11992998 0.89 PPARG (0.58) PPARGPPARAPTGESALOX5SLC6A9
SCHEMBL3968405 0.89 PPARG (0.48) PPARGPPARASLC6A9SMN1; SMN2LMNA
SCHEMBL6905028 0.82 PPARG (0.38) PPARGPPARA
SCHEMBL3972070 0.81 PPARG (0.45) PPARGPPARASMN1; SMN2LMNAMAPT
SCHEMBL3972769 0.81 PPARG (0.48) PPARGPPARASLC6A9SMN1; SMN2
SCHEMBL3979354 0.80 PPARG (0.46) PPARGPPARASMN1; SMN2GAALMNA
SCHEMBL3972905 0.79 PPARG (0.54) PPARGPPARA
SCHEMBL6903473 0.79 PPARG (0.44) PPARGPPARASMN1; SMN2
Pemaglitazar SCHEMBL29908544 0.78 PPARG (0.56) PPARGPPARASLC6A9
Pemaglitazar SCHEMBL3971148 0.78 PPARG (0.56) PPARGPPARASLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 425/4885PTGES 3467/4885

“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.