SCHEMBL2522434

SCHEMBL2522434

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CSc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TP53 P04637 5/20 0.49
MMP8 P22894 2/20 0.41
MMP3 P08254 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
POLB P06746 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2522432 1.00 MAPT (0.49) MAPTTP53MMP8MMP3PPARG
SCHEMBL2521633 0.93 MAPT (0.45) MAPTTP53MMP8MMP3PPARG
SCHEMBL2521631 0.93 MAPT (0.45) MAPTTP53MMP8MMP3PPARG
SCHEMBL2519785 0.92 MAPT (0.44) MAPTTP53POLBKDM4E
SCHEMBL2519786 0.92 MAPT (0.44) MAPTTP53POLBKDM4E
SCHEMBL2516442 0.92 MAPT (0.43) MAPTTP53MMP8MMP3PPARG
SCHEMBL2516438 0.92 MAPT (0.43) MAPTTP53MMP8MMP3PPARG
SCHEMBL5207316 0.89 MAPT (0.48) MAPTTP53PPARGPPARDPOLB
SCHEMBL181098 0.87 TP53 (0.47) MAPTTP53PPARGPPARDPPARA
SCHEMBL14071895 0.87 TP53 (0.47) MAPTTP53PPARGPPARDPPARA

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 16 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-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
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
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-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

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 MAPT 3328/4885TP53 2327/4885MMP8 1999/4885
US-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD MAPT 3732/4885TP53 2714/4885MMP8 2097/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD MAPT 3328/4885TP53 2327/4885MMP8 1999/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD MAPT 3328/4885TP53 2327/4885MMP8 1999/4885
US-20080131475-A1 Methods of Use of Dual Ppar Agonist Compounds and Drug Delivery Devices Containing Such Compounds PPARA, PPARD, PPARG MAPT 4822/4885TP53 3355/4885MMP8 984/4885

“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.