SCHEMBL2446586

SCHEMBL2446586

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
EPHX1 P07099 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP8 P22894 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
MCL1 Q07820 1/20 0.32
PKM P14618 1/20 0.31
FAAH O00519 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL10283962 0.78 MMP1 (0.46) ALDH1A1SMN1; SMN2EPHX1MMP1MMP2
SCHEMBL2450490 0.78
SCHEMBL966610 0.76 EPHX2 (0.49) ALDH1A1SMN1; SMN2EPHX1MMP1MMP2
SCHEMBL29202927 0.75 EPHX1 (0.42) ALDH1A1SMN1; SMN2EPHX1MMP1MMP2
SCHEMBL860139 0.75
SCHEMBL21844360 0.74 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL4687193 0.73
SCHEMBL968483 0.73
SCHEMBL320068 0.73
SCHEMBL28293734 0.73 MMP1 (0.48) ALDH1A1SMN1; SMN2EPHX1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US claimed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP claimed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO claimed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
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
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP 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-20030220399-A1 Use of (-) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of insulin resistance, Type 2 diabetes, hyperlipidemia and hyperuricemia METABOLEX, INC. 2003-11-27 US disclosed
US-6646004-B1 Administering antidiabetic agents such as 2-acetamidoethyl-4-chlorophenyl-(3-trifluoromethylphenoxy)acetate, having side effect reduction METABOLEX, INC. 2003-11-11 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
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

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 ALDH1A1 217/4885SMN1; SMN2 4344/4885EPHX1 2460/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK ALDH1A1 3502/4885SMN1; SMN2 3956/4885EPHX1 2222/4885
US-20030220399-A1 Use of (-) (3-trihalomethylphenoxy) (4-halophenyl) acetic acid derivatives for treatment of insulin resistance, Type 2 diabetes, hyperlipidemia and hyperuricemia HACL2, SLC5A2, HCAR2 ALDH1A1 244/4885SMN1; SMN2 4289/4885EPHX1 2481/4885

“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.