SCHEMBL2446701

SCHEMBL2446701

CC([O])NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 1/20 0.56
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
SLC1A2 P43004 1/20 0.52
KMT2A Q03164 3/20 0.51

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
SCHEMBL9815358 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL155518 0.84 MLYCD (0.58) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL29772431 0.84 MLYCD (0.58) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL24998749 0.84 MLYCD (0.58) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL9783640 0.84 HDAC1 (0.60) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL6834922 0.83 ALDH1A1 (0.56) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL28544859 0.83 MLYCD (0.56) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL7522945 0.83 MLYCD (0.56) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL7849680 0.83 MLYCD (0.56) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL9815318 0.83 LMNA (0.61) SMN1; SMN2LMNAALDH1A1HPGDRAB9A

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 30 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-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-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-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-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
EP-0767221-B1 Near infrared ray absorbing compound having high durability and its use MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5788914-A Near infrared ray absorbing compound having high durability and its use MITSUI CHEMICALS, INC. (JP) 1998-08-04 US disclosed
EP-0767221-A1 Near infrared ray absorbing compound having high durability and its use MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-04-09 EP 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 SMN1; SMN2 4344/4885LMNA 3555/4885ALDH1A1 217/4885
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 SMN1; SMN2 4676/4885LMNA 3713/4885ALDH1A1 581/4885
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 SMN1; SMN2 4344/4885LMNA 3555/4885ALDH1A1 217/4885

“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.