SCHEMBL4575950

SCHEMBL4575950

O=C(O)C(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.67
PPARA Q07869 1/20 0.51
ACP3 P15309 2/20 0.47
CES2 O00748 2/20 0.47
PNMT P11086 1/20 0.47
SLC22A12 Q96S37 1/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
SLC6A9 P48067 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL3965607 0.89 PPARG (0.64) PPARGPPARAACP3CES2PNMT
SCHEMBL5083539 0.88 PPARG (0.80) PPARGPPARAACP3CES2SLC22A12
SCHEMBL31053289 0.88 PPARG (0.80) PPARGPPARAACP3CES2SLC22A12
SCHEMBL4079864 0.87 PPARG (0.62) PPARGPPARAACP3CES2PNMT
SCHEMBL4079871 0.87 PPARG (0.62) PPARGPPARAACP3CES2PNMT
SCHEMBL13374084 0.85 PPARG (0.60) PPARGPPARAACP3CES2PNMT
SCHEMBL4576498 0.84 PPARG (0.82) PPARGPPARACES2SLC22A12SLC6A9
SCHEMBL13374082 0.84 PPARG (0.64) PPARGPPARAACP3CES2SLC22A12
SCHEMBL27671576 0.81 PPARG (0.53) PPARGPPARAACP3CES2PNMT
SCHEMBL18174878 0.81 PPARG (0.76) PPARGPPARASLC22A12SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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-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-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
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
EP-1716116-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2006-11-02 EP disclosed
US-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents METABOLEX, INC. (US) 2005-10-06 US disclosed
WO-2005080340-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS METABOLEX, INC. (US) 2005-09-01 WO 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 (4 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-20050222213-A1 Alpha(trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl)-trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetic agents GPR119, SLC5A1, AADAC PPARG 16/4885PPARA 14/4885ACP3 804/4885
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885ACP3 408/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 PPARG 19/4885PPARA 14/4885ACP3 780/4885
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885ACP3 177/4885

“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.