SCHEMBL6804338

SCHEMBL6804338

CC[C@@]1(C(=O)OC)CCc2ccc(O)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.47
PPARA Q07869 16/20 0.47
PPARD Q03181 3/20 0.44
SOD1 P00441 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL6796006 1.00 PPARG (0.47) PPARGPPARAPPARDSOD1ESR1
SCHEMBL6796001 1.00 PPARG (0.47) PPARGPPARAPPARDSOD1ESR1
SCHEMBL7248833 0.90 ESR2 (0.43) PPARGPPARAPPARDSOD1ESR1
SCHEMBL7081949 0.90 ESR2 (0.43) PPARGPPARAPPARDSOD1ESR1
SCHEMBL7081951 0.90 ESR2 (0.43) PPARGPPARAPPARDSOD1ESR1
SCHEMBL6797610 0.89 PPARG (0.47) PPARGPPARAPPARDESR1ESR2
SCHEMBL4452781 0.87 PPARG (0.39) PPARGPPARAPPARDSOD1ESR2
SCHEMBL6791705 0.85 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6798457 0.80 SOD1 (0.44) PPARGPPARAPPARDSOD1
SCHEMBL6798455 0.80 SOD1 (0.44) PPARGPPARAPPARDSOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713508-B2 SUCH AS 7-(3-(3-TRIFLUOROMETHYL-7-PROPYL-6-BENZ-(4,5)-ISOXAZOLOXY)PROPOXY)-2 -ETHYLCHROMANE-2-CARBOXYLIC ACID WHICH ARE POTENT AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MERCK & CO., INC. 2004-03-30 US disclosed
US-6645997-B2 Agonists of peroxisome proliferator activated receptor (PPAR) alpha and/or gamma MERCK & CO., INC. 2003-11-11 US disclosed
EP-1347755-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-10-01 EP disclosed
EP-1324995-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-07-09 EP disclosed
WO-2002060434-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-08-08 WO disclosed
US-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-08-01 US disclosed
US-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-06-27 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

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

For each of this compound's patents that has machine-readable text (2 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-20020103242-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885
US-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.