SCHEMBL5662525

SCHEMBL5662525

CC(C)(Oc1cccc(OCCCOc2ccc(OS(C)(=O)=O)cc2)c1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 4/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ F10 P00742 2/20 0.32
▸ F2 P00734 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ C1S P09871 1/20 0.31
▸ PRSS3 P35030 1/20 0.31

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 0.97 PPARA (0.33) MTNR1AMTNR1BPPARAPPARDF10
SCHEMBL5662393 0.93 CA12 (0.36) PPARACA12CA1CA2CA9
SCHEMBL5660452 0.91 PPARG (0.39) MTNR1AMTNR1BPPARAF2
SCHEMBL5660965 0.89 PPARA (0.32) PPARACA12CA1CA2CA9
Arginine SCHEMBL5660963 0.88 PPARA (0.41) MTNR1AMTNR1BPPARAPPARDF10
Arginine SCHEMBL5662519 0.88 PPARA (0.41) MTNR1AMTNR1BPPARAPPARDF10
SCHEMBL5660731 0.87 PPARA (0.33) PPARACA12CA1CA2CA9
Arginine SCHEMBL5658603 0.84 PPARA (0.40) MTNR1AMTNR1BPPARAPPARDF10
Arginine SCHEMBL5658599 0.84 PPARA (0.40) MTNR1AMTNR1BPPARAPPARDF10
SCHEMBL5660659 0.83 PPARA (0.33) PPARA

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 MTNR1A 373/4885MTNR1B 212/4885PPARA 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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