SCHEMBL3964941

SCHEMBL3964941

CCOC(=O)C(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ EPHX1 P07099 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PNMT P11086 1/20 0.48
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CHRM2 P08172 1/20 0.46

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
SCHEMBL30836057 0.87 CES2 (0.49) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL1043810 0.87 CES2 (0.49) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL16024763 0.85 CES2 (0.48) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL15947827 0.85 PTGS1 (0.56) SMN1; SMN2ATMCES2NPSR1PNMT
SCHEMBL20592695 0.84 THRB (0.48) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL3965596 0.84 CES2 (0.47) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL23082858 0.83 ACP3 (0.51) SMN1; SMN2ATMEPHX1AKR1C3AKR1C2
SCHEMBL11432112 0.83 EPHX1 (0.52) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL4750069 0.83 CES2 (0.46) SMN1; SMN2MAPTGAAALOX12ATM
SCHEMBL27690525 0.83 PNMT (0.49) SMN1; SMN2MAPTGAAALOX12ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (2 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 SMN1; SMN2 2833/4885MAPT 3087/4885GAA 38/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 SMN1; SMN2 3069/4885MAPT 3150/4885GAA 31/4885

“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.

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