SCHEMBL5025640

SCHEMBL5025640

CCOC(=O)C(C)n1ccc2ccc(OCc3cc(-c4ccc(OC(F)(F)F)cc4)nn3CC(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.40
ALOX5AP P20292 3/20 0.35
GRIN2B Q13224 1/20 0.34
PPARA Q07869 2/20 0.34
GCGR P47871 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL5026953 0.91 PPARD (0.41) PPARDALOX5APPPARAGCGRPPARG
SCHEMBL5023327 0.90 PPARD (0.40) PPARDALOX5APGRIN2BGCGRTRPV1
SCHEMBL5016803 0.85 PPARD (0.40) PPARDGRIN2BPPARAGCGRTRPV1
SCHEMBL5027060 0.81 PPARD (0.41) PPARDALOX5APPPARAGCGRTRPV1
SCHEMBL5023318 0.80 PPARD (0.43) PPARDPPARAGCGRTRPV1PPARG
SCHEMBL5022715 0.78 MCL1 (0.40) PPARDGRIN2BPPARATRPV1PPARG
SCHEMBL5023384 0.77 PPARD (0.42) PPARDALOX5APGRIN2BPPARAPPARG
SCHEMBL2426059 0.76 PPARD (0.49) PPARDPPARA
SCHEMBL5027024 0.75 TRPV1 (0.43) PPARDALOX5APGRIN2BPPARATRPV1
SCHEMBL5022631 0.74 TRPV1 (0.39) PPARDALOX5APGRIN2BPPARAGCGR

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-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
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 1/4885ALOX5AP 1153/4885GRIN2B 1526/4885

“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.