SCHEMBL5018050

SCHEMBL5018050

Cc1oc(-c2ccccc2)nc1CCCOS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.57
PPARA Q07869 15/20 0.57
PPARD Q03181 1/20 0.57
KDM4E B2RXH2 1/20 0.52
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL821405 0.92 PPARG (0.59) PPARGPPARAPPARDKDM4EHRH3
SCHEMBL3582919 0.86 PPARG (0.43) PPARGPPARAPPARDLMNA
SCHEMBL31095004 0.85 KDM4E (0.52) PPARGPPARAPPARDKDM4EHRH3
SCHEMBL5814674 0.84 KDM4E (0.57) PPARGPPARAPPARDKDM4EHRH3
SCHEMBL31095026 0.84 PPARG (0.50) PPARGPPARAPPARDKDM4EHRH3
SCHEMBL12469624 0.83 PPARG (0.46) PPARGPPARAPPARDKDM4E
SCHEMBL15324598 0.83 MEN1 (0.49) PPARGPPARAPPARDKDM4E
SCHEMBL6964583 0.82 PPARG (0.57) PPARGPPARA
SCHEMBL6293717 0.82 PPARG (0.50) PPARGPPARAPPARDLMNA
SCHEMBL14002819 0.81 PPARG (0.69) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100577660-C N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists used for the treatment of diabetes HOFFMANN LA ROCHE 2010-01-06 CN disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7446127-B2 Chroman carboxylic acid derivatives for the treatment of diabetes and lipid disorders SK HOLDINGS CO, LTD. (KR) 2008-11-04 US disclosed
EP-1567523-B1 INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-20 EP disclosed
CN-100343250-C Indole derivatives HOFFMANN LA ROCHE (CH) 2007-10-17 CN disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
CN-1681808-A N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists useful for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1567523-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
EP-1539746-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-20050107371-A1 Chroman carboxylic acid derivatives for the treatment of diabetes and lipid disorders SK BIOPHARMACEUTICALS CO., LTD. (KR) 2005-05-19 US disclosed
US-6890947-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-10 US disclosed
WO-2005021540-A1 CHROMAN CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS SK CORPORATION (KR) 2005-03-10 WO disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 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 (4 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR PPARG 354/4885PPARA 286/4885PPARD 207/4885
US-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 PPARG 443/4885PPARA 617/4885PPARD 602/4885
US-20050107371-A1 Chroman carboxylic acid derivatives for the treatment of diabetes and lipid disorders GPR119, CEL, ACACA PPARG 44/4885PPARA 105/4885PPARD 83/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA PPARG 65/4885PPARA 24/4885PPARD 206/4885

“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.