SCHEMBL3973894

SCHEMBL3973894

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.52
PPARG P37231 8/20 0.52
PPARD Q03181 6/20 0.45
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 2/20 0.41
SLC6A9 P48067 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3971145 1.00 PPARA (0.52) PPARAPPARGPPARDPTPN1ALDH1A1
SCHEMBL3971738 1.00 PPARA (0.52) PPARAPPARGPPARDPTPN1ALDH1A1
SCHEMBL11993009 0.89 PPARA (0.53) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL3967738 0.89 PPARG (0.62) PPARAPPARGPTPN1SLC6A9
SCHEMBL3973024 0.88 PPARG (0.46) PPARAPPARGPPARDALDH1A1PTGES
SCHEMBL6902221 0.88 PPARA (0.47) PPARAPPARGPPARDPTPN1ALDH1A1
SCHEMBL11993021 0.86 PPARG (0.51) PPARAPPARGPPARDPTPN1SLC6A9
SCHEMBL6904075 0.86 PPARA (0.40) PPARAPPARGPPARDPTPN1ALDH1A1
SCHEMBL3976202 0.86 PPARG (0.51) PPARAPPARGPPARDPTPN1SLC6A9
Pemaglitazar SCHEMBL6902223 0.85 PPARA (0.52) PPARAPPARGPPARDPTPN1SLC6A9

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 PPARA 425/4885PPARG 492/4885PPARD 596/4885

“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.