SCHEMBL5660452

SCHEMBL5660452

CC(C)(Oc1ccc(CCCOc2cccc(OS(C)(=O)=O)c2)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.39
▸ F2 P00734 1/20 0.36
▸ PPARA Q07869 10/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35

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
SCHEMBL5658608 0.92 PPARA (0.33) PPARGF2PPARAMTNR1AMTNR1B
SCHEMBL5662525 0.91 MTNR1A (0.34) F2PPARAMTNR1AMTNR1B
Arginine SCHEMBL5660445 0.89 PPARG (0.47) PPARGPPARAMTNR1AMTNR1B
Arginine SCHEMBL5660450 0.89 PPARG (0.47) PPARGPPARAMTNR1AMTNR1B
SCHEMBL5662393 0.87 CA12 (0.36) PPARGPPARA
SCHEMBL5660731 0.84 PPARA (0.33) PPARGPPARA
SCHEMBL5660965 0.83 PPARA (0.32) PPARGPPARA
SCHEMBL5661026 0.83 MTNR1A (0.35) PPARGPPARAMTNR1AMTNR1B
SCHEMBL5661036 0.81 PPARA (0.35) PPARGPPARAMTNR1AMTNR1B
SCHEMBL5660227 0.80 MCL1 (0.38) PPARGPPARAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 — — EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 — — 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 (1 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 PPARG 170/4885F2 3263/4885PPARA 251/4885

“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.

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