SCHEMBL3970055

SCHEMBL3970055

O=C(O)C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
POLB P06746 1/20 0.52
TP53 P04637 3/20 0.49
LMNA P02545 3/20 0.49
XBP1 P17861 1/20 0.49
S1PR3 Q99500 1/20 0.49
KIF11 P52732 1/20 0.49

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
SCHEMBL3966246 0.93 TACR1 (0.52) CA12CA1MMP2MAPTMEN1
SCHEMBL3963387 0.90 CES2 (0.47) CA12CA1MMP2MAPTMEN1
SCHEMBL3964840 0.81 ACP3 (0.47) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5950037 0.80 SMN1; SMN2 (0.60) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL1568406 0.80 MAPT (0.53) CA12CA1MMP2MAPTMEN1
SCHEMBL837824 0.79 SMN1; SMN2 (0.70) CA12CA1MMP2MAPTMEN1
SCHEMBL18838552 0.79 SMN1; SMN2 (0.70) CA12CA1MMP2MAPTMEN1
SCHEMBL29446980 0.79 SMN1; SMN2 (0.70) CA12CA1MMP2MAPTMEN1
SCHEMBL8752678 0.77 NPSR1 (0.49) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL7583043 0.77 TACR1 (0.51) MAPTMEN1KMT2AHTTRAB9A

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 13 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
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
CN-1922143-A Alpha- (trifluoromethyl-substituted aryloxy, arylamino, arylthio or arylmethyl) -trifluoromethyl-substituted phenylacetic acids and derivatives as antidiabetics METABOLEX INC (US) 2007-02-28 CN 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 CA12 3854/4885CA1 2945/4885MMP2 1685/4885
US-20080287441-A1 ALPHA-(TRIFLUOROMETHYL-SUBSTITUTED ARYLOXY, ARYLAMINO, ARYLTHIO OR ARYLMETHYL)-TRIFLUOROMETHYL-SUBSTITUTED PHENYLACETIC ACIDS AND DERIVATIVES AS ANTIDIABETIC AGENTS SLC5A1, GPR119, SLC5A2 CA12 3846/4885CA1 2964/4885MMP2 1700/4885

“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.