SCHEMBL2524840

SCHEMBL2524840

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(S(=O)(=O)N2CC[C@@H]2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.51
PPARA Q07869 9/20 0.51
PTPN1 P18031 1/20 0.47
PPARD Q03181 3/20 0.47
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 2/20 0.45
FFAR1 O14842 1/20 0.44
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44
TP53 P04637 1/20 0.44
KCNQ1 P51787 1/20 0.43

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
SCHEMBL2524843 1.00 PPARG (0.51) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL2518481 0.96 PPARG (0.50) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL2518483 0.96 PPARG (0.50) PPARGPPARAPTPN1PPARDCYP2C9
SCHEMBL2520054 0.93 PPARG (0.52) PPARGPPARACYP2C9KCNH2FFAR1
SCHEMBL2520051 0.93 PPARG (0.52) PPARGPPARACYP2C9KCNH2FFAR1
SCHEMBL2517508 0.92 PPARA (0.52) PPARGPPARAMAPTFFAR1MMP1
SCHEMBL2517504 0.92 PPARA (0.52) PPARGPPARAMAPTFFAR1MMP1
SCHEMBL2521135 0.90 FFAR1 (0.55) PPARGPPARAMAPTFFAR1MMP1
SCHEMBL2521132 0.90 FFAR1 (0.55) PPARGPPARAMAPTFFAR1MMP1
SCHEMBL2521659 0.89 PPARG (0.57) PPARGPPARACYP2C9

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 20 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-1841422-A1 METHODS OF USE OF DUAL PPAR AGONIST COMPOUNDS AND DRUG DELIVERY DEVICES CONTAINING SUCH COMPOUNDS Novartis AG (CH) 2007-10-10 EP 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
WO-2006084757-A2 COMBINATION OF CA/MG SALT OF VALSARTAN WITH AN ANTIDIABETIC AGENT NOVARTIS AG (CH) 2006-08-17 WO disclosed
WO-2006078605-A1 METHODS OF USE OF DUAL PPAR AGONIST COMPOUNDS AND DRUG DELIVERY DEVICES CONTAINING SUCH COMPOUNDS NOVARTIS AG (CH) 2006-07-27 WO 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 2/4885PTPN1 1805/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD PPARG 1/4885PPARA 4/4885PTPN1 1655/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PTPN1 1805/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885PTPN1 1805/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG PPARG 3/4885PPARA 1/4885PTPN1 2922/4885

“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.