SCHEMBL4885533

SCHEMBL4885533

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RECQL P46063 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL4888092 0.90 KDM4E (0.50) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL7804877 0.83 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL17705937 0.82 SMN1; SMN2 (0.56) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL17715373 0.81 HDAC2 (0.51) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL13825640 0.81 MME (0.50) HDAC2HDAC8HDAC6RECQLKDM4E
SCHEMBL4145476 0.77 HDAC1 (0.63) HDAC6LMNAALDH1A1KMT2AHDAC1
SCHEMBL7281189 0.77 ALDH1A1 (0.53) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL7281178 0.77 ALDH1A1 (0.53) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL10659140 0.77 KDM4E (0.56) HDAC2HDAC8HDAC6RECQLRAB9A
SCHEMBL4145473 0.77 HDAC1 (0.63) HDAC6LMNAALDH1A1KMT2AHDAC1

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 25 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 HDAC2 1078/4885HDAC8 1231/4885HDAC6 1097/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD HDAC2 1078/4885HDAC8 1231/4885HDAC6 1097/4885
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 HDAC2 622/4885HDAC8 415/4885HDAC6 610/4885
US-20040097590-A1 Oxazolyl-arylpropionic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD HDAC2 829/4885HDAC8 915/4885HDAC6 1250/4885
US-20050245584-A1 Peroxisome proliferator activated receptor agonists PPARG, PPARA, PPARD HDAC2 1563/4885HDAC8 1284/4885HDAC6 2384/4885

“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.