SCHEMBL2517508

SCHEMBL2517508

Cc1oc(-c2ccc(F)cc2)nc1COc1ccc(S(=O)(=O)N2CCC2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.52
PPARG P37231 10/20 0.52
TP53 P04637 3/20 0.47
POLB P06746 1/20 0.47
ADAM17 P78536 2/20 0.47
MAPT P10636 1/20 0.47
MMP1 P03956 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL2517504 1.00 PPARA (0.52) PPARAPPARGTP53POLBADAM17
SCHEMBL2518126 0.96 PPARA (0.51) PPARAPPARGTP53POLBADAM17
SCHEMBL2518121 0.96 PPARA (0.51) PPARAPPARGTP53POLBADAM17
SCHEMBL2521132 0.93 FFAR1 (0.55) PPARAPPARGADAM17MAPTMMP1
SCHEMBL2521135 0.93 FFAR1 (0.55) PPARAPPARGADAM17MAPTMMP1
SCHEMBL2524840 0.92 PPARG (0.51) PPARAPPARGTP53ADAM17MAPT
SCHEMBL2524843 0.92 PPARG (0.51) PPARAPPARGTP53ADAM17MAPT
SCHEMBL5210493 0.89 PPARA (0.50) PPARAPPARGTP53POLBMAPT
SCHEMBL2524236 0.89 FFAR1 (0.52) PPARAPPARGTP53MAPTFFAR1
SCHEMBL2524237 0.89 FFAR1 (0.52) PPARAPPARGTP53MAPTFFAR1

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-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-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
WO-2006084757-A2 COMBINATION OF CA/MG SALT OF VALSARTAN WITH AN ANTIDIABETIC AGENT NOVARTIS AG (CH) 2006-08-17 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
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
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 PPARA 2/4885PPARG 1/4885TP53 2327/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD PPARA 4/4885PPARG 1/4885TP53 2714/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885TP53 2327/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PPARA 2/4885PPARG 1/4885TP53 2327/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG PPARA 1/4885PPARG 3/4885TP53 3355/4885

“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.