SCHEMBL3973024

SCHEMBL3973024

Cc1ccc(SCCC(Oc2ccc(OC(F)(F)F)cc2)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
PPARA Q07869 11/20 0.46
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARD Q03181 1/20 0.39
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3971738 0.88 PPARA (0.52) PPARGPPARAPTGESALOX5ALDH1A1
SCHEMBL3973894 0.88 PPARA (0.52) PPARGPPARAPTGESALOX5ALDH1A1
SCHEMBL3971145 0.88 PPARA (0.52) PPARGPPARAPTGESALOX5ALDH1A1
SCHEMBL3973021 0.86 PPARG (0.47) PPARGPPARAALOX5PPARD
SCHEMBL11993061 0.84 PPARG (0.62) PPARGPPARA
SCHEMBL11992997 0.81 PPARG (0.43) PPARGPPARA
SCHEMBL16712021 0.78 PPARG (0.47) PPARGPPARA
SCHEMBL11993009 0.77 PPARA (0.53) PPARGPPARAPPARD
SCHEMBL9858176 0.77 PPARG (0.52) PPARGPPARAPTGESALOX5ALDH1A1
SCHEMBL3967738 0.77 PPARG (0.62) PPARGPPARA

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.