SCHEMBL5023329

SCHEMBL5023329

CCOC(=O)Cn1ccc2ccc(OCCc3cc(-c4ccc(C(F)(F)F)cc4)nn3C)cc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.44
PPARD Q03181 8/20 0.42
PPARA Q07869 8/20 0.42
PPARG P37231 5/20 0.42
AGER Q15109 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPM2 O94759 1/20 0.38
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
SCHEMBL5016764 0.96 MCL1 (0.45) MCL1PPARDPPARAPPARGAGER
SCHEMBL5016769 0.93 PPARD (0.44) MCL1PPARDPPARAPPARGAGER
SCHEMBL5022805 0.92 MCL1 (0.44) MCL1PPARDPPARAPPARGMAPT
SCHEMBL5016851 0.90 PPARD (0.49) MCL1PPARDPPARAPPARG
SCHEMBL5016774 0.88 MCL1 (0.45) MCL1PPARDPPARAPPARGMAPT
SCHEMBL5022823 0.86 PPARD (0.50) MCL1PPARDPPARAPPARG
SCHEMBL5027024 0.84 TRPV1 (0.43) MCL1PPARDPPARAPPARGGRIN2B
SCHEMBL5016845 0.83 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL5023384 0.83 PPARD (0.42) MCL1PPARDPPARAPPARGGRIN1
SCHEMBL5023230 0.82 PPARD (0.55) MCL1PPARDPPARAPPARGGRIN1

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 5 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
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MCL1 2737/4885PPARD 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.