SCHEMBL5661026

SCHEMBL5661026

CC(C)(Oc1ccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ PPARG P37231 9/20 0.33
▸ PPARA Q07869 8/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ADA P00813 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ PLA2G4A P47712 3/20 0.33
▸ KMT2A Q03164 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
SCHEMBL5661036 0.93 PPARA (0.35) MTNR1AMTNR1BPPARGPPARAPPARD
SCHEMBL5660227 0.92 MCL1 (0.38) MTNR1AMTNR1BPPARGPPARAPPARD
Arginine SCHEMBL5661025 0.90 PPARG (0.39) MTNR1AMTNR1BPPARGPPARAPPARD
SCHEMBL5663030 0.84 — —
Arginine SCHEMBL5661032 0.83 PPARG (0.41) MTNR1AMTNR1BPPARGPPARAPPARD
Arginine SCHEMBL5661465 0.83 PPARG (0.41) MTNR1AMTNR1BPPARGPPARAPPARD
SCHEMBL5660452 0.83 PPARG (0.39) MTNR1AMTNR1BPPARGPPARA
Arginine SCHEMBL5660219 0.82 PPARG (0.42) PPARGPPARAPPARD
Arginine SCHEMBL5660225 0.82 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL5661012 0.80 PPARA (0.42) MTNR1AMTNR1BPPARGPPARAPPARD

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 1 patent. 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

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 212/4885PPARG 170/4885

“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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