SCHEMBL6028635

SCHEMBL6028635

Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cccc2c1ccn2CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.51
PPARA Q07869 10/20 0.50
PPARD Q03181 10/20 0.50
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MCL1 Q07820 1/20 0.42

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
SCHEMBL6017246 0.91 PPARG (0.43) PPARGPPARAPPARD
SCHEMBL5015488 0.82 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6029201 0.82 PPARD (0.59) PPARGPPARAPPARD
SCHEMBL6029484 0.82 PPARD (0.50) PPARGPPARAPPARDMCL1
SCHEMBL5015467 0.80 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL4424891 0.78 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL5015433 0.77 PPARD (0.57) PPARGPPARAPPARD
SCHEMBL5617095 0.75 KDM4E (0.40) PPARGPPARAPPARDMCL1
SCHEMBL6017210 0.75 PPARD (0.58) PPARGPPARAPPARDMCL1
SCHEMBL6029170 0.73 MCL1 (0.41) PPARGPPARAPPARDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US claimed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US claimed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.