SCHEMBL5904644

SCHEMBL5904644

O=C(O)Cc1cccc(OCc2cn(-c3ccc(C(F)(F)F)cc3)nc2CCc2ccccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.51
PPARA Q07869 11/20 0.51
PPARG P37231 4/20 0.42
RXRA P19793 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL5904772 0.83 FFAR1 (0.53) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL6035936 0.80 PPARD (0.44) PPARDPPARAPPARGRXRANR1H2
SCHEMBL6036203 0.78 NR1H2 (0.43) PPARDPPARAPPARGRXRANR1H2
SCHEMBL6143205 0.77 PPARA (0.44) PPARDPPARAPPARGRXRANR1H2
SCHEMBL5904742 0.76 NOTUM (0.43)
SCHEMBL6035564 0.74 PLA2G4B (0.42) PPARDPPARAPPARGRXRANR1H2
SCHEMBL5904648 0.74 PPARA (0.40) PPARDPPARAPPARGRXRANR1H2
SCHEMBL5904913 0.73 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL5904607 0.73 FFAR1 (0.46) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL1010424 0.73 MAOB (0.64) PPARDPPARAPPARGRXRAFFAR1

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
US-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO 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-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD PPARD 3/4885PPARA 1/4885PPARG 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.