SCHEMBL4248436

SCHEMBL4248436

COC(=O)[C@]1(C)OC[C@H](Cc2ccc(OCCc3nc(C(C)(C)C)oc3C)cc2)CO1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.83
PPARG P37231 18/20 0.83
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
PPARD Q03181 4/20 0.40

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
SCHEMBL4246485 1.00 PPARA (0.83) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4251694 0.92 PPARA (0.70) PPARAPPARG
SCHEMBL4254644 0.92 PPARA (0.70) PPARAPPARG
SCHEMBL4245045 0.91 PPARA (1.00) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4253557 0.91 PPARA (1.00) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4245038 0.91 PPARA (1.00) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4245832 0.84 PPARG (0.85) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4248855 0.84 PPARA (0.84) PPARAPPARG
SCHEMBL4250998 0.84 PPARG (0.85) PPARAPPARGCYP2C9CYP3A4KCNH2
SCHEMBL4251329 0.84 PPARG (0.85) PPARAPPARGCYP2C9CYP3A4KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 US claimed
EP-1781633-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2007-05-09 EP claimed
WO-2006018855-A1 NOVEL ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2006-02-23 WO claimed
US-20090012069-A1 Novel Antidiabetic Compounds CADILA HEALTHCARE LIMITED (IN) 2009-01-08 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-20090012069-A1 Novel Antidiabetic Compounds GPR119, SLC5A1, SLC5A2 PPARA 145/4885PPARG 76/4885CYP2C9 343/4885

“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.