SCHEMBL5660227

SCHEMBL5660227

CC(C)(Oc1ccc(OCCCn2ccc3cc(OS(C)(=O)=O)ccc32)cc1)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.38
▸ BCL2 P10415 3/20 0.37
▸ PPARG P37231 11/20 0.36
▸ PPARA Q07869 8/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ ADA P00813 1/20 0.34

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 0.92 MTNR1A (0.35) PPARGPPARAPPARDMTNR1AMTNR1B
Arginine SCHEMBL5660225 0.89 PPARG (0.42) MCL1BCL2PPARGPPARAPPARD
Arginine SCHEMBL5660219 0.89 PPARG (0.42) MCL1BCL2PPARGPPARAPPARD
SCHEMBL5661036 0.89 PPARA (0.35) MCL1BCL2PPARGPPARAPPARD
SCHEMBL5662393 0.86 CA12 (0.36) PPARGPPARA
SCHEMBL5663030 0.84 — —
Arginine SCHEMBL5661025 0.82 PPARG (0.39) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL5662525 0.81 MTNR1A (0.34) PPARAPPARDMTNR1AMTNR1B
SCHEMBL5658608 0.81 PPARA (0.33) PPARGPPARAPPARDMTNR1AMTNR1B
SCHEMBL5660452 0.80 PPARG (0.39) 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 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 MCL1 1367/4885BCL2 1802/4885PPARG 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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