SCHEMBL2518436

SCHEMBL2518436

Cc1oc(-c2ccccc2)nc1COc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARG P37231 12/20 0.49
PPARA Q07869 10/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDR P35968 1/20 0.44

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
SCHEMBL2518434 1.00 FFAR1 (0.52) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2519810 0.94 TP53 (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2519805 0.94 TP53 (0.50) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2517483 0.92 PPARG (0.55) PPARGPPARA
SCHEMBL2517485 0.92 PPARG (0.55) PPARGPPARA
SCHEMBL339515 0.92 TP53 (0.47) FFAR1PPARGPPARAMAPTTP53
SCHEMBL14071895 0.92 TP53 (0.47) FFAR1PPARGPPARAMAPTTP53
SCHEMBL181098 0.92 TP53 (0.47) FFAR1PPARGPPARAMAPTTP53
SCHEMBL30529086 0.92 TP53 (0.47) FFAR1PPARGPPARAMAPTTP53
SCHEMBL2523255 0.90 PPARA (0.45) FFAR1PPARGPPARAMAPTTP53

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 27 patents — showing the first 20. 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
CN-100429201-C Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2008-10-29 CN 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-1841422-A1 METHODS OF USE OF DUAL PPAR AGONIST COMPOUNDS AND DRUG DELIVERY DEVICES CONTAINING SUCH COMPOUNDS Novartis AG (CH) 2007-10-10 EP claimed
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW T 2007-06-14 US claimed
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 claimed
WO-2006084757-A2 COMBINATION OF CA/MG SALT OF VALSARTAN WITH AN ANTIDIABETIC AGENT NOVARTIS AG (CH) 2006-08-17 WO claimed
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 claimed
CN-1589260-A Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2005-03-02 CN claimed
US-20040248936-A1 Heterocyclic compounds and methods of use BACH ANDREW THOMAS (US) 2004-12-09 US claimed
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US disclosed
CN-101362731-B Heterocyclic compounds and methods of use NOVARTIS AG 2011-01-19 CN disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
CN-101362731-A Heterocyclic compounds and methods of use NOVARTIS AG (CH) 2009-02-11 CN 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
CN-1589260-A Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2005-03-02 CN 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 FFAR1 9/4885PPARG 1/4885PPARA 2/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD FFAR1 6/4885PPARG 1/4885PPARA 4/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD FFAR1 9/4885PPARG 1/4885PPARA 2/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD FFAR1 9/4885PPARG 1/4885PPARA 2/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG FFAR1 58/4885PPARG 3/4885PPARA 1/4885

“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.