SCHEMBL4888092

SCHEMBL4888092

COC(=O)CC(NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PIN1 Q13526 1/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4885533 0.90 HDAC2 (0.47) KDM4EHDAC2HDAC8HDAC6RECQL
SCHEMBL22361824 0.85 MAPT (0.56) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL19418905 0.85 MAPT (0.56) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL7804877 0.84 SMN1; SMN2 (0.57) KDM4EHDAC2HDAC8HDAC6RECQL
SCHEMBL10659140 0.84 KDM4E (0.56) KDM4EITGB3ITGA2BPIN1HDAC2
SCHEMBL10659142 0.84 KDM4E (0.56) KDM4EITGB3ITGA2BPIN1HDAC2
SCHEMBL5272643 0.82 ALDH1A1 (0.58) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL28680572 0.82 ALDH1A1 (0.58) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL29637713 0.82 SMN1; SMN2 (0.57) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL13825640 0.82 MME (0.50) KDM4EITGB3ITGA2BHDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7345070-B2 Side effects reduction; Diabetes mellitus, Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, atherosclerosis; 3-{4-[2-(2-phenyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-phenoxy-propionic acid ELI LILLY AND COMPANY (US) 2008-03-18 US disclosed
US-7345070-B2 Side effects reduction; Diabetes mellitus, Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, atherosclerosis; 3-{4-[2-(2-phenyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-phenoxy-propionic acid ELI LILLY AND COMPANY (US) 2008-03-18 US disclosed
US-7345070-B2 Side effects reduction; Diabetes mellitus, Syndrome X, Type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, atherosclerosis; 3-{4-[2-(2-phenyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-phenoxy-propionic acid ELI LILLY AND COMPANY (US) 2008-03-18 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
US-20050245584-A1 Peroxisome proliferator activated receptor agonists BROOKS DAWN A 2005-11-03 US disclosed
US-6930120-B2 Oxazolyl-arylproplonic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY (US) 2005-08-16 US disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 WO disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
US-20040097590-A1 Oxazolyl-arylpropionic acid derivatives and their use as ppar agonists BROOKS DAWN ALISA (US) 2004-05-20 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
EP-1313716-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed
WO-2002016331-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO 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 (5 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD KDM4E 4175/4885ITGB3 4586/4885ITGA2B 4358/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD KDM4E 4175/4885ITGB3 4586/4885ITGA2B 4358/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA KDM4E 4016/4885ITGB3 4604/4885ITGA2B 4620/4885
US-20040097590-A1 Oxazolyl-arylpropionic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD KDM4E 3306/4885ITGB3 2416/4885ITGA2B 3409/4885
US-20050245584-A1 Peroxisome proliferator activated receptor agonists PPARG, PPARA, PPARD KDM4E 3194/4885ITGB3 4409/4885ITGA2B 4718/4885

“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.