SCHEMBL5660731

SCHEMBL5660731

CCC(Oc1cccc(OC(C)(C)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N)c1)Oc1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NPY1R P25929 3/20 0.31
▸ NPY4R P50391 3/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL5660965 0.97 PPARA (0.32) PPARAPPARGCA12CA1CA2
SCHEMBL5660659 0.91 PPARA (0.33) PPARANPY1RNPY4RNPY2RNPY5R
SCHEMBL5658608 0.90 PPARA (0.33) PPARAPPARGNPY1RNPY4R
SCHEMBL5662525 0.87 MTNR1A (0.34) PPARACA12CA1CA2CA9
SCHEMBL5660452 0.84 PPARG (0.39) PPARAPPARG
SCHEMBL5662393 0.81 CA12 (0.36) PPARAPPARGCA12CA1CA2
SCHEMBL5663030 0.80 — —
SCHEMBL5661036 0.79 PPARA (0.35) PPARAPPARG
Arginine SCHEMBL5658603 0.78 PPARA (0.40) PPARAPPARG
Arginine SCHEMBL5658599 0.78 PPARA (0.40) PPARAPPARG

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 2 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 claimed
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 170/4885CA12 4489/4885

“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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