SCHEMBL5023397

SCHEMBL5023397

Cc1c(-c2ccc(C(F)(F)F)cc2)nn(C)c1COc1ccc2ccn(CC(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.56
PPARA Q07869 7/20 0.53
PPARG P37231 3/20 0.43
MCL1 Q07820 2/20 0.43
PTPN1 P18031 1/20 0.41

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
SCHEMBL5016789 0.91 PPARD (0.46) PPARDPPARAPPARGMCL1
SCHEMBL5025641 0.91 PPARD (0.55) PPARDPPARAPPARGMCL1PTPN1
SCHEMBL5023827 0.89 MCL1 (0.48) PPARDPPARAPPARGMCL1
SCHEMBL5023230 0.83 PPARD (0.55) PPARDPPARAPPARGMCL1
SCHEMBL5023737 0.83 PPARD (0.45) PPARDPPARAPPARGMCL1
SCHEMBL5016822 0.79 MCL1 (0.46) MCL1
SCHEMBL6017210 0.79 PPARD (0.58) PPARDPPARAPPARGMCL1
SCHEMBL5016760 0.78 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL5017503 0.78 PPARD (0.65) PPARDPPARAPPARG
SCHEMBL5022927 0.78 MCL1 (0.47) PPARDPPARAPPARGMCL1

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 6 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
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US 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
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.