SCHEMBL4885546

SCHEMBL4885546

Cc1oc(CCc2ccccc2)nc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.43
P2RX3 P56373 1/20 0.43
TP53 P04637 1/20 0.42
FFAR1 O14842 2/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.40
PPARG P37231 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
SCHEMBL4885807 0.86 GAA (0.44) KDM4EMAPTTP53LMNANPC1
SCHEMBL4891146 0.82 TDP1 (0.46) KDM4EMAPTP2RX3TP53HPGD
SCHEMBL27589627 0.81 ALDH1A1 (0.50) KDM4EMAPTP2RX3TP53FFAR1
SCHEMBL4675656 0.74 KDM4E (0.51) KDM4EMAPTHPGDRAB9ASMN1; SMN2
SCHEMBL893027 0.74 KDM4E (1.00) KDM4ETP53FFAR1HPGDLMNA
SCHEMBL3822113 0.73 MEN1 (0.46) KDM4EMAPTP2RX3TP53HPGD
SCHEMBL8126209 0.73 TDP1 (0.41) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL4467298 0.71 KDM4E (0.58) KDM4EMAPTP2RX3HPGDALDH1A1
SCHEMBL31376311 0.71 HCRTR1 (0.46) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL12617433 0.70 PPARG (0.49) ALDH1A1PPARGPPARA

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 26 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
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
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN 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 4175/4885MAPT 2702/4885P2RX3 1603/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD KDM4E 4175/4885MAPT 2702/4885P2RX3 1603/4885
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 4016/4885MAPT 3142/4885P2RX3 1934/4885
US-20040097590-A1 Oxazolyl-arylpropionic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD KDM4E 3306/4885MAPT 4494/4885P2RX3 133/4885
US-20050245584-A1 Peroxisome proliferator activated receptor agonists PPARG, PPARA, PPARD KDM4E 3194/4885MAPT 4575/4885P2RX3 338/4885

“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.