SCHEMBL5221643

SCHEMBL5221643

COC(=O)CCc1ccc(O[C@@H](C)c2oc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.48
PPARG P37231 11/20 0.48
PPARA Q07869 10/20 0.48
PTPN1 P18031 3/20 0.40
VDR P11473 1/20 0.40
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5217765 1.00 PPARD (0.48) PPARDPPARGPPARAPTPN1VDR
SCHEMBL5217760 1.00 PPARD (0.48) PPARDPPARGPPARAPTPN1VDR
SCHEMBL6617743 0.97 PPARD (0.46) PPARDPPARGPPARAPTPN1VDR
SCHEMBL5220549 0.91 PPARD (0.58) PPARDPPARGPPARAPTPN1
SCHEMBL5215033 0.91 PPARD (0.58) PPARDPPARGPPARAPTPN1
SCHEMBL5215031 0.91 PPARD (0.58) PPARDPPARGPPARAPTPN1
SCHEMBL5219129 0.91 PPARA (0.51) PPARDPPARGPPARAPTPN1
SCHEMBL5217401 0.87 PPARD (0.50) PPARDPPARGPPARAPTPN1VDR
SCHEMBL14432285 0.85 PPARD (0.54) PPARDPPARGPPARAPTPN1
SCHEMBL5219166 0.85 PPARD (0.54) PPARDPPARGPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PPARD 3/4885PPARG 1/4885PPARA 2/4885

“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.