SCHEMBL2441978

SCHEMBL2441978

CC(C)(C[O])Oc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
CYP2D6 P10635 2/20 0.53
KMT2A Q03164 2/20 0.53
HTR2A P28223 3/20 0.50
TSHR P16473 3/20 0.50
ABCB11 O95342 2/20 0.50
PMP22 Q01453 2/20 0.50
PPARG P37231 4/20 0.46
FABP2 P12104 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL1040481 0.81 PPARA (0.51) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL987495 0.79 PPARA (0.53) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4016237 0.79 ALDH1A1 (0.41) PPARAMAPTMEN1KMT2APPARG
SCHEMBL987506 0.79 PPARA (0.48) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL3937220 0.78 PPARG (0.39) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL21992534 0.77 PPARA (0.61) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL11612914 0.76 PPARA (0.46) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL18016873 0.76 PPARA (0.46) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL989698 0.76 PPARA (0.54) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL196705 0.75 PPARA (0.57) PPARACYP1A2CYP3A4CYP2C19MAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354448-B2 Use of (−)(3-trihalomethylphenoxy)(4-halophenyl) acetic acid derivatives for treatment of type 2 diabetes METABOLEX, INC. (US) 2013-01-15 US claimed
US-8329749-B2 Use of (−) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of hyperuricemia METABOLEX, INC. (US) 2012-12-11 US claimed
US-8481597-B2 Use of (-) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of insulin resistance, type 2 diabetes, hyperlipidemia and hyperuricemia METABOLEX, INC. (US) 2013-07-09 US disclosed
US-8354448-B2 Use of (−)(3-trihalomethylphenoxy)(4-halophenyl) acetic acid derivatives for treatment of type 2 diabetes METABOLEX, INC. (US) 2013-01-15 US disclosed
US-8329749-B2 Use of (−) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of hyperuricemia METABOLEX, INC. (US) 2012-12-11 US disclosed
EP-1343493-B1 USE OF(-) (3-HALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES AND HYPERURICEMIA METABOLEX INC (US) 2012-10-31 EP disclosed
US-20120225940-A1 Use of (-) (3-Trihalomethylphenoxy) (4-Halophenyl) Acetic Acid Derivatives for Treatment of Insulin Resistance, Type 2 Diabetes, Hyperlipidemia and Hyperuricemia DIATEX, INC. 2012-09-06 US disclosed
EP-1614418-B1 use of(-)(3-trihalomethylphenoxy) (4-halophenyl)acetic acid derivatives for treatment of hyperuricaemia METABOLEX INC (US) 2011-09-14 EP disclosed
US-20100093855-A1 USE OF (-) (3-TRIHALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDEMIA AND HYPERURICEMIA METABOLEX, INC. (US) 2010-04-15 US disclosed
US-20100093853-A1 USE OF (-)(3-TRIHALOMETHYLPHENOXY)(4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES AND HYPERLIPIDEMIA METABOLEX, INC. (US) 2010-04-15 US disclosed
US-7576131-B2 Use of (-) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of insulin resistance, type 2 diabetes, hyperlipidemia and hyperuricemia METABOLEX, INC. (US) 2009-08-18 US disclosed
US-6624194-B1 3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives and compositions in the treatment of insulin resistance, Type 2 diabetes, hyperlipidemia and hyperuricemia. Provides (3-trihalomethylphenoxy) (4-halophenyl) acetic acid for METABOLEX, INC. 2003-09-23 US disclosed
EP-1343493-A2 USE OF(-) (3-HALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDEMIA AND HYPERURICEMIA METABOLEX, INC. (US) 2003-09-17 EP disclosed
US-6613802-B1 Composition containing (-) enantiomer of compound in enantiomeric excess of at least 80% relative to (+) enantiomer, which exhibits reduced inhibition of cytochrome P450 2C9 METABOLEX, INC. 2003-09-02 US disclosed
WO-2002044113-A9 USE OF(-) (3-HALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDEMIA AND HYPERURICEMIA METABOLEX INC (US) 2003-05-01 WO disclosed
WO-2002044113-A2 USE OF(-) (3-HALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDEMIA AND HYPERURICEMIA METABOLEX, INC. (US) 2002-06-06 WO disclosed
EP-1183020-A2 USE OF(-)(3-TRIHALOMETHYLPHENOXY) (4-HALOPHENYL)ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDAEMIA AND HYPERURICAEMIA METABOLEX, INC. (US) 2002-03-06 EP disclosed
US-6262118-B1 THERAPY OF TYPE 2 DIABETES IN A MAMMAL BY ADMINISTERING (-) 4-CHLOROPHENYL-(3-TRIFLUOROMETHYLPHENOXY)ACETIC ACID DERIVATIVE METABOLEX, INC. 2001-07-17 US disclosed
WO-2000074666-A2 USE OF (-) (3-TRIHALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDAEMIA AND HYPERURICAEMIA METABOLEX, INC. (US) 2000-12-14 WO disclosed
US-4107329-A Fluorinated compounds as therapeutics IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-15 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-20120225940-A1 Use of (-) (3-Trihalomethylphenoxy) (4-Halophenyl) Acetic Acid Derivatives for Treatment of Insulin Resistance, Type 2 Diabetes, Hyperlipidemia and Hyperuricemia HACL2, SLC5A2, HCAR2 PPARA 215/4885CYP1A2 475/4885CYP3A4 1284/4885
US-20100093853-A1 USE OF (-)(3-TRIHALOMETHYLPHENOXY)(4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES AND HYPERLIPIDEMIA GPR119, LIPC, HACL2 PPARA 70/4885CYP1A2 575/4885CYP3A4 1191/4885
US-20100093855-A1 USE OF (-) (3-TRIHALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES, HYPERLIPIDEMIA AND HYPERURICEMIA HACL2, SLC5A2, HCAR2 PPARA 215/4885CYP1A2 475/4885CYP3A4 1284/4885

“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.