SCHEMBL13374124

SCHEMBL13374124

CC(=O)NCCOC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.69
SLC22A12 Q96S37 1/20 0.69
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR1I2 O75469 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL14102651 0.88 PPARG (0.67) PPARGSLC22A12KDM4EALDH1A1GAA
SCHEMBL13374126 0.85 PPARG (0.81) PPARGSLC22A12KDM4EALDH1A1GAA
SCHEMBL13374125 0.84 PPARG (0.86) PPARGSLC22A12KDM4EALDH1A1GAA
Arhalofenate SCHEMBL3302781 0.82 PPARG (1.00) PPARGSLC22A12KDM4EALDH1A1GAA
Arhalofenate SCHEMBL31214631 0.82 PPARG (1.00) PPARGSLC22A12KDM4EALDH1A1GAA
Halofenate SCHEMBL635325 0.82 PPARG (1.00) PPARGSLC22A12KDM4EALDH1A1GAA
SCHEMBL4081962 0.79 PPARG (0.71) PPARGSLC22A12KDM4EALDH1A1NPSR1
SCHEMBL11667555 0.79 PPARG (0.55) PPARGSLC22A12MTNR1AMTNR1BPPARA
SCHEMBL13374122 0.75 PPARG (0.72) PPARGSLC22A12MTNR1AMTNR1BPPARA
SCHEMBL17164083 0.75 L3MBTL1 (0.62) PPARGSLC22A12KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
WO-2009046371-A1 METHODS OF TREATING METABOLIC DISEASES METABOLEX, INC. (US) 2009-04-09 WO disclosed
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2008-11-20 US disclosed
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2008-11-20 US disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders DIATEX, INC. 2008-08-14 US disclosed
US-7371888-B2 α-(Trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2008-05-13 US disclosed
US-7371888-B2 α-(Trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2008-05-13 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 (3 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-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer PPARG, PPARA, PPARD PPARG 1/4885SLC22A12 960/4885KDM4E 3666/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 PPARG 19/4885SLC22A12 557/4885KDM4E 2427/4885
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders PPARG, PPARA, PPARD PPARG 1/4885SLC22A12 1113/4885KDM4E 2690/4885

“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.