SCHEMBL2520051

SCHEMBL2520051

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1COc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.52
PPARA Q07869 12/20 0.52
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADAM17 P78536 2/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL2520054 1.00 PPARG (0.52) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2514695 0.96 PPARG (0.51) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2514696 0.96 PPARG (0.51) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2524843 0.93 PPARG (0.51) PPARGPPARAFFAR1CYP2C9KCNH2
SCHEMBL2524840 0.93 PPARG (0.51) PPARGPPARAFFAR1CYP2C9KCNH2
SCHEMBL5210899 0.89 PPARA (0.49) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2518483 0.89 PPARG (0.50) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2518481 0.89 PPARG (0.50) PPARGPPARAHCRTR1HCRTR2FFAR1
SCHEMBL2517508 0.88 PPARA (0.52) PPARGPPARAFFAR1ADAM17MMP1
SCHEMBL2517504 0.88 PPARA (0.52) PPARGPPARAFFAR1ADAM17MMP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US claimed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US claimed
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds COHEN DAVID SAUL 2008-06-05 US claimed
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US claimed
US-20040248936-A1 Heterocyclic compounds and methods of use BACH ANDREW THOMAS (US) 2004-12-09 US claimed
EP-1448523-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Novartis AG (CH) 2004-08-25 EP claimed
WO-2003043985-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2003-05-30 WO claimed
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds COHEN DAVID SAUL 2008-06-05 US disclosed
EP-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP disclosed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US disclosed
US-7183304-B2 such as (R)-1-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-benzenesulfonyl}-azetidine-2-carboxylic acid, used as peroxisome proliferator-activated receptor agonists; hypoglycemic agents NOVARTIS AG (CH) 2007-02-27 US disclosed
US-20040248936-A1 Heterocyclic compounds and methods of use BACH ANDREW THOMAS (US) 2004-12-09 US disclosed
EP-1448523-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Novartis AG (CH) 2004-08-25 EP disclosed
WO-2003043985-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2003-05-30 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885HCRTR1 724/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD PPARG 1/4885PPARA 4/4885HCRTR1 728/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885HCRTR1 724/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885HCRTR1 724/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885HCRTR1 2466/4885

“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.