SCHEMBL2898933

SCHEMBL2898933

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 1.00
NR1H3 Q13133 16/20 1.00
PPARA Q07869 15/20 1.00
NR1H2 P55055 14/20 1.00
PPARG P37231 12/20 1.00

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
SCHEMBL29816268 1.00 PPARD (1.00) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7044517 0.92 PPARD (0.86) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL23139545 0.92 PPARD (0.84) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7044450 0.91 NR1H3 (0.84) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7038966 0.89 PPARD (0.92) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL5535084 0.89 PPARD (0.83) PPARDNR1H3PPARANR1H2PPARG
L-165461 SCHEMBL6753428 0.88 PPARD (1.00) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7040820 0.88 PPARG (1.00) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7041413 0.87 PPARD (0.81) PPARDNR1H3PPARANR1H2PPARG
SCHEMBL7044955 0.87 PPARD (0.87) PPARDNR1H3PPARANR1H2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882029-B1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO INC (US) 2003-04-02 EP claimed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US claimed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP claimed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
CN-114195672-A Amide prodrugs of small molecule nuclear receptor modulators 俄勒冈健康科学大学 2022-03-18 CN disclosed
CN-111801013-B Amide prodrugs of small molecule nuclear receptor modulators 俄勒冈健康科学大学 2021-12-24 CN disclosed
US-20210087137-A1 AMIDE PRODRUGS OF SMALL MOLECULE NUCLEAR RECEPTOR MODULATORS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-03-25 US disclosed
CN-111801013-A Amide prodrugs of small molecule nuclear receptor modulators 俄勒冈健康科学大学 2020-10-20 CN disclosed
WO-2017044551-A1 PPAR-ALPHA AGONISTS FOR TREATING MITOCHONDRIAL DISEASES MITOBRIDGE, INC. (US) 2017-03-16 WO disclosed
EP-2155187-B1 METHOD OF TREATMENT USING FUSED AROMATIC COMPOUNDS HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO disclosed
US-20020042441-A1 N-substituted indoles useful in the treatment of diabetes MERCK SHARP & DOHME CORP. 2002-04-11 US disclosed
WO-2002026729-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-04-04 WO disclosed
WO-2002015845-A2 ANTI-HYPERCHOLESTEROLEMIC DRUG COMBINATION MERCK & CO., INC. (US) 2002-02-28 WO disclosed
WO-2002008188-A1 N-SUBSTITUTED INDOLES USEFUL IN THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2002-01-31 WO disclosed
WO-2001060807-A1 ARYLOXYACETIC ACIDS FOR DIABETES AND LIPID DISORDERS MERCK & CO. INC. (US) 2001-08-23 WO disclosed
US-6090836-A DIETETICS; ADJUSTMENT OF TRIGLYCERIDE CONCENTRATION MERCK & CO., INC. (US) 2000-07-18 US disclosed
EP-0882029-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997028137-A1 HETEROCYCLIC DERIVATIVES AS ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. (US) 1997-08-07 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-20210087137-A1 AMIDE PRODRUGS OF SMALL MOLECULE NUCLEAR RECEPTOR MODULATORS NR1I2, NR1D2, NR1I3 PPARD 81/4885NR1H3 9/4885PPARA 103/4885
US-20020042441-A1 N-substituted indoles useful in the treatment of diabetes GPR119, PPARA, INSR PPARD 5/4885NR1H3 52/4885PPARA 2/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG PPARD 46/4885NR1H3 21/4885PPARA 50/4885

“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.