SCHEMBL4011585

SCHEMBL4011585

CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.61
PPARG P37231 15/20 0.61
NR1H2 P55055 7/20 0.43
NR1H3 Q13133 7/20 0.43
PPARD Q03181 5/20 0.42

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
SCHEMBL4019204 0.85 PPARA (0.52) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL6920085 0.85 PPARA (0.52) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL18644967 0.78 PPARA (0.67) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL1400248 0.78 PPARA (0.55) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL7167912 0.78 PPARA (0.72) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL29561793 0.77 PPARA (1.00) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL3863004 0.77 PPARA (1.00) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL4015234 0.76 PPARG (0.49) PPARAPPARGPPARD
SCHEMBL31123806 0.76 PPARA (0.50) PPARAPPARGNR1H2NR1H3PPARD
SCHEMBL6203286 0.76 PPARA (0.50) PPARAPPARGNR1H2NR1H3PPARD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
EP-1259494-A4 ARYLOXYACETIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO INC (US) 2004-09-15 EP disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 US disclosed
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 WO disclosed
US-6569879-B2 Agonists of peroxisome proliferator activated receptor (PPAR) alpha and/or gamma; benzisoxazole compounds; e.g. ((5,7-dipropyl-3-trifluoromethyl-1,2-benzisoxazol-6-yl)oxy)acetic acid, methyl ester MERCK & CO., INC. 2003-05-27 US disclosed
EP-1259494-A1 ARYLOXYACETIC ACIDS FOR DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
US-20020173663-A1 Aryloxyacetic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-11-21 US disclosed
WO-2001060807-A1 ARYLOXYACETIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO. INC. (US) 2001-08-23 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 (3 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-20020173663-A1 Aryloxyacetic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885NR1H2 27/4885
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885NR1H2 23/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885NR1H2 13/4885

“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.