SCHEMBL5016789

SCHEMBL5016789

CCOC(=O)Cn1ccc2ccc(OCc3c(C)c(-c4ccc(C(F)(F)F)cc4)nn3C)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.46
PPARA Q07869 5/20 0.43
TRPM2 O94759 1/20 0.42
MCL1 Q07820 2/20 0.41
MAOB P27338 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
SLC34A1 Q06495 1/20 0.39
ALOX5AP P20292 1/20 0.38
PPARG P37231 1/20 0.37
FPR2 P25090 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
SCHEMBL5023737 0.92 PPARD (0.45) PPARDPPARATRPM2MCL1MAOB
SCHEMBL5023397 0.91 PPARD (0.56) PPARDPPARAMCL1PPARG
SCHEMBL5016822 0.89 MCL1 (0.46) MCL1SLC34A1
SCHEMBL5016769 0.85 PPARD (0.44) PPARDPPARATRPM2MCL1MAOB
SCHEMBL5025641 0.82 PPARD (0.55) PPARDPPARAMCL1GRIN1GRIN2B
SCHEMBL6017213 0.80 PPARD (0.47) PPARDPPARAMCL1MAOBGRIN1
SCHEMBL5023329 0.80 MCL1 (0.44) PPARDPPARATRPM2MCL1GRIN1
SCHEMBL5023827 0.79 MCL1 (0.48) PPARDPPARAMCL1PPARG
SCHEMBL6029063 0.79 PPARD (0.47) PPARDPPARAMCL1MAOBGRIN1
SCHEMBL5023384 0.79 PPARD (0.42) PPARDPPARATRPM2MCL1MAOB

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 1/4885PPARA 2/4885TRPM2 2519/4885

“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.