SCHEMBL4894750

SCHEMBL4894750

Cc1ccc(S(=O)(=O)OCCc2nc(C3(C)CCCCC3)oc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
PSMD10 O75832 1/20 0.34
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
MEN1 O00255 2/20 0.33
STAT3 P40763 1/20 0.33
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
CYP24A1 Q07973 1/20 0.32

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
SCHEMBL4890880 0.77 PPARG (0.47) CA12CA1CA9KMT2ASMN1; SMN2
SCHEMBL5124569 0.77 LMNA (0.51) KMT2ASMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL504044 0.74 PPARG (0.54) LMNAPPARGPPARATP53
SCHEMBL4884493 0.73 MAPT (0.40) CA12CA1CA9ALDH1A1PPARG
SCHEMBL4894538 0.73 PPARA (0.47) CA12CA1CA9ALDH1A1LMNA
SCHEMBL5112891 0.73 PPARG (0.46) CA12CA1CA9KMT2AALDH1A1
SCHEMBL4894747 0.73 PPARG (0.51) KMT2ASMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL4885359 0.73 PPARA (0.52) SMN1; SMN2LMNAPPARGPPARATP53
SCHEMBL5116367 0.73 ALDH1A1 (0.41) CA12CA1CA9SMN1; SMN2ALDH1A1
SCHEMBL4893190 0.72 CFTR (0.40) CA12CA1CA9KMT2ASMN1; SMN2

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
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
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
CN-1471517-A OXAZOLYL-arylpropionic acid derivatives and their sue as PPAR agonists 2004-01-28 CN 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 CA12 4678/4885CA1 4785/4885CA9 3511/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD CA12 4678/4885CA1 4785/4885CA9 3511/4885
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 CA12 4223/4885CA1 4513/4885CA9 3303/4885
US-20040097590-A1 Oxazolyl-arylpropionic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD CA12 4783/4885CA1 4571/4885CA9 3217/4885
US-20050245584-A1 Peroxisome proliferator activated receptor agonists PPARG, PPARA, PPARD CA12 4844/4885CA1 4828/4885CA9 3921/4885

“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.