SCHEMBL2446590

SCHEMBL2446590

CCNC(=O)NCCCO

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.54
EPHX2 P34913 2/20 0.49
HTT P42858 1/20 0.43
PRMT1 Q99873 1/20 0.41
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.41
ACHE P22303 5/20 0.40

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
SCHEMBL6289655 0.93 EPHX1 (0.58) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL6290528 0.91 EPHX1 (0.61) EPHX1EPHX2PRMT1NAAAACHE
SCHEMBL13135023 0.87 EPHX1 (0.61) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL14198101 0.87 EPHX1 (0.68) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL692078 0.87 EPHX1 (0.52) EPHX1EPHX2HTTPRMT1PTGS1
SCHEMBL9424811 0.86 EPHX1 (0.68) EPHX1MEN1KMT2ANAAAACHE
SCHEMBL3076338 0.86 EPHX1 (0.71) EPHX1NAAAACHE
SCHEMBL10399741 0.85 EPHX1 (0.73) EPHX1EPHX2PRMT1MEN1KMT2A
SCHEMBL194284 0.85
SCHEMBL6287189 0.84 MAPT (0.44) EPHX1EPHX2ACHE

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 45 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-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 EP disclosed
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 WO disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 US disclosed
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN 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 (6 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 EPHX1 1414/4885EPHX2 1933/4885HTT 3232/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 EPHX1 1414/4885EPHX2 1933/4885HTT 3232/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 EPHX1 1414/4885EPHX2 1933/4885HTT 3232/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 EPHX1 1414/4885EPHX2 1933/4885HTT 3232/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK EPHX1 2222/4885EPHX2 2463/4885HTT 1246/4885
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 EPHX1 2481/4885EPHX2 1394/4885HTT 348/4885

“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.