SCHEMBL5661036

SCHEMBL5661036

CC(C)(Oc1cccc(CCCn2ccc3cc(OS(C)(=O)=O)ccc32)c1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.35
▸ PPARG P37231 11/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ADA P00813 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ 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
SCHEMBL5661026 0.93 MTNR1A (0.35) PPARAPPARGPPARDMTNR1AMTNR1B
Arginine SCHEMBL5661032 0.90 PPARG (0.41) PPARAPPARGPPARDMTNR1AMTNR1B
Arginine SCHEMBL5661465 0.90 PPARG (0.41) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL5660227 0.89 MCL1 (0.38) PPARAPPARGPPARDMTNR1AMTNR1B
Arginine SCHEMBL5661025 0.83 PPARG (0.39) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL5661653 0.81 PPARG (0.55) PPARAPPARGPPARDBCL2MCL1
SCHEMBL5660452 0.81 PPARG (0.39) PPARAPPARGMTNR1AMTNR1B
SCHEMBL5663030 0.80 — —
SCHEMBL5658608 0.80 PPARA (0.33) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL5659260 0.79 PPARG (0.51) PPARAPPARGPPARDBCL2MCL1

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 PPARA 251/4885PPARG 170/4885PPARD 153/4885

“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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