SCHEMBL3962613

SCHEMBL3962613

O=C(O)C(Cc1cc(C(F)(F)F)ccc1F)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.46
AKR1C2 P52895 10/20 0.46
AKR1B10 O60218 2/20 0.41
AKR1C4 P17516 2/20 0.41
AKR1C1 Q04828 2/20 0.41
CES2 O00748 1/20 0.39
FFAR1 O14842 1/20 0.39
IDO1 P14902 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SRD5A2 P31213 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
POLQ O75417 2/20 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
SCHEMBL839917 0.75 LDHA (0.48) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL10895409 0.75 PSEN1 (0.54) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL14000031 0.72 MEN1 (0.41) AKR1C3AKR1C2CES2FFAR1TRPM8
SCHEMBL2647603 0.71 APP (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL298387 0.69 AKR1C3 (0.68) AKR1C3AKR1C2AKR1C4AKR1C1PSEN1
SCHEMBL1864403 0.69 GRIK1 (0.55) IDO1PPARG
SCHEMBL12629396 0.69 GRIK1 (0.55) IDO1PPARG
SCHEMBL12629289 0.69 GRIK1 (0.55) IDO1PPARG
SCHEMBL12762358 0.69 GRIK1 (0.55) IDO1PPARG
SCHEMBL892902 0.69 IDO1 (0.51) CES2IDO1PSEN1PSEN2APH1B

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 15 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
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-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 AKR1C3 361/4885AKR1C2 234/4885AKR1B10 622/4885
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer PPARG, PPARA, PPARD AKR1C3 961/4885AKR1C2 644/4885AKR1B10 840/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 AKR1C3 444/4885AKR1C2 260/4885AKR1B10 640/4885
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders PPARG, PPARA, PPARD AKR1C3 140/4885AKR1C2 137/4885AKR1B10 354/4885

“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.