SCHEMBL5022729

SCHEMBL5022729

O=C(O)Cn1ccc2ccc(OCc3cc(-c4ccc(C(F)(F)F)cc4)nn3CC(F)(F)F)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.53
PPARA Q07869 9/20 0.53
PPARG P37231 4/20 0.43
MCL1 Q07820 1/20 0.39
FFAR1 O14842 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL5023318 0.91 PPARD (0.43) PPARDPPARAPPARGMCL1
SCHEMBL5016787 0.91 PPARD (0.53) PPARDPPARAPPARGMCL1FFAR1
SCHEMBL5023384 0.89 PPARD (0.42) PPARDPPARAPPARGMCL1GRIN1
SCHEMBL5023230 0.89 PPARD (0.55) PPARDPPARAPPARGMCL1FFAR1
SCHEMBL5023328 0.83 PPARG (0.48) PPARDPPARAPPARGMCL1
SCHEMBL5026985 0.82 PPARD (0.43) PPARDPPARAPPARGMCL1FFAR1
SCHEMBL5016803 0.81 PPARD (0.40) PPARDPPARAPPARGMCL1GRIN2B
SCHEMBL5016851 0.81 PPARD (0.49) PPARDPPARAPPARGMCL1
SCHEMBL5022823 0.80 PPARD (0.50) PPARDPPARAPPARGMCL1
SCHEMBL5617221 0.80 PPARD (0.59) PPARDPPARAPPARGMCL1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP claimed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US claimed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP claimed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US claimed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO claimed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.