SCHEMBL181098

SCHEMBL181098

Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
MAPT P10636 3/20 0.47
PPARG P37231 7/20 0.45
PPARA Q07869 6/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45
FFAR1 O14842 1/20 0.44
PTPN1 P18031 2/20 0.44
PPARD Q03181 2/20 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
SCHEMBL14071895 1.00 TP53 (0.47) TP53MAPTPPARGPPARACYP2C9
SCHEMBL30529086 1.00 TP53 (0.47) TP53MAPTPPARGPPARACYP2C9
SCHEMBL339515 1.00 TP53 (0.47) TP53MAPTPPARGPPARACYP2C9
SCHEMBL14342743 0.94 MAPT (0.47) TP53MAPTPPARGPPARACYP2C9
SCHEMBL2523252 0.93 PPARA (0.45) TP53MAPTPPARGPPARACYP2C9
SCHEMBL2523255 0.93 PPARA (0.45) TP53MAPTPPARGPPARACYP2C9
Potassium Ion SCHEMBL4990138 0.93 MAPT (0.46) TP53MAPTPPARGPPARACYP2C9
SCHEMBL2518436 0.92 FFAR1 (0.52) TP53MAPTPPARGPPARAFFAR1
SCHEMBL2518434 0.92 FFAR1 (0.52) TP53MAPTPPARGPPARAFFAR1
SCHEMBL2519805 0.92 TP53 (0.50) TP53MAPTPPARGPPARAFFAR1

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 383 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526711-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-12-27 US claimed
US-20160279086-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2016-09-29 US claimed
US-9394239-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-19 US claimed
US-20140286931-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS, INC. 2014-09-25 US claimed
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2011-10-13 US claimed
US-20100286275-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 US claimed
WO-2010118291-A2 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-10-14 WO claimed
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP claimed
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP claimed
US-20100167988-A1 ETHOXYPHENYLMETHYL INHIBITORS OF SGLT2 AUSPEX PHARMACEUTICALS, INC. (US) 2010-07-01 US claimed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 WO claimed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO 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
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP claimed
WO-2006084176-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2006-08-10 WO claimed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040248936-A1 Heterocyclic compounds and methods of use PPARG, GPR119, PPARD TP53 2714/4885MAPT 3732/4885PPARG 1/4885
US-20110251171-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD TP53 2327/4885MAPT 3328/4885PPARG 1/4885
US-20070135502-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD TP53 2327/4885MAPT 3328/4885PPARG 1/4885
US-20100286275-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TP53 4877/4885MAPT 2841/4885PPARG 147/4885
US-20100167988-A1 ETHOXYPHENYLMETHYL INHIBITORS OF SGLT2 SLC5A2, SLC5A1, SLC2A4 TP53 4861/4885MAPT 1024/4885PPARG 143/4885
US-20160279086-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TP53 4877/4885MAPT 2841/4885PPARG 147/4885
US-20140286931-A1 BIPHENYL-3-CARBOXYLIC ACID MODULATORS OF BETA-3-ADRENORECEPTOR ADRB3, ADRB1, ADRA2C TP53 4877/4885MAPT 2841/4885PPARG 147/4885

“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.