SCHEMBL651350

SCHEMBL651350

N#Cc1ccc(NCCNC[C]=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.54
DPP7 Q9UHL4 2/20 0.49
DPP8 Q6V1X1 1/20 0.49
GSK3B P49841 2/20 0.44
IDH1 O75874 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3A P49840 1/20 0.40
LIMK1 P53667 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
SLK Q9H2G2 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL6638863 0.87 DPP4 (0.53) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL21095681 0.84 DPP4 (0.50) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL6125342 0.83 DPP4 (0.48) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL402112 0.82 DPP4 (0.51) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL8312031 0.81 DPP4 (0.60) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL3049238 0.81 HCAR3 (0.51) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL4737899 0.79 DPP4 (0.49) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL3115089 0.78 CHEK1 (0.52) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL14996239 0.78 HCAR3 (0.54) DPP4DPP7DPP8GSK3BIDH1
SCHEMBL8313343 0.78 DPP4 (0.56) DPP4DPP7DPP8GSK3BIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-11007162-B2 Methods of reducing small, dense LDL particles CYMABAY THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2019-10-03 US disclosed
EP-2346498-B1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS INC (US) 2018-12-26 EP disclosed
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (DE) 2017-10-26 US disclosed
US-20160074473-A1 EFFECT OF PHOSPHOLIPID COMPOSITION OF RECONSTITUTED HDL ON ITS CHOLESTEROL EFFLUX AND ANTI-INFLAMMATORY PROPERTIES KINEMED, INC. (US) 2016-03-17 US disclosed
WO-2016019333-A1 THE EFFECT OF PHOSPHOLIPID COMPOSITION OF RECONSTITUTED HDL ON ITS CHOLESTEROL EFFLUX AND ANTI-INFLAMMATORY PROPERTIES KINEMED, INC. (US) 2016-02-04 WO disclosed
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20140213502-A1 CHEMICAL MODIFICATION OF APOLIPOPROTEIN MIMETIC PEPTIDES FOR THE PRODUCTION OF THERAPEUTIC AGENTS United States Department of Health and Human Services (US) 2014-07-31 US disclosed
US-8669288-B2 Lysine salts of 4-((phenoxyalkyl)thio)-phenoxyacetic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2014-03-11 US disclosed
US-20070117177-A1 Nucleic Acid-Based Matrixes for Protein Production CORNELL RESEARCH FOUNDATION, INC. 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
WO-2007041112-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed
WO-2007041076-A2 1,2,3,5-TETRAHYDRO-CYCLOPENTAL[C]QUINOLIN-4-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed
US-20070032430-A1 Peptides and peptide mimetics to treat pathologies characterized by an inflammatory response THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-02-08 US disclosed
US-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-16 US disclosed
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-06-09 US disclosed
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 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 (11 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-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP DPP4 314/4885DPP7 393/4885DPP8 470/4885
US-20060058382-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD DPP4 91/4885DPP7 194/4885DPP8 220/4885
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD DPP4 76/4885DPP7 188/4885DPP8 246/4885
US-20070032430-A1 Peptides and peptide mimetics to treat pathologies characterized by an inflammatory response APOB, APOL1, GLP1R DPP4 679/4885DPP7 846/4885DPP8 767/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD DPP4 76/4885DPP7 203/4885DPP8 265/4885
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 DPP4 230/4885DPP7 208/4885DPP8 637/4885
US-20070099936-A1 Dihydroisoindolones As Allosteric Modulators Of Glucokinase GCK, GCKR, GPR119 DPP4 82/4885DPP7 77/4885DPP8 265/4885
US-11007162-B2 Methods of reducing small, dense LDL particles LDLR, APOB, HDLBP DPP4 314/4885DPP7 393/4885DPP8 470/4885
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD DPP4 76/4885DPP7 203/4885DPP8 265/4885
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 DPP4 96/4885DPP7 103/4885DPP8 374/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD DPP4 76/4885DPP7 188/4885DPP8 246/4885

“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.