SCHEMBL6109397

SCHEMBL6109397

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2COC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.49
PPARD Q03181 6/20 0.49
PPARG P37231 5/20 0.49
EPHX2 P34913 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
MAOB P27338 1/20 0.41
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL1549834 0.94 PPARA (0.49) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1549782 0.90 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL1550010 0.89 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL1550171 0.89 PPARA (0.56) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1550809 0.88 EPHX2 (0.40) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL5668311 0.85 PPARA (0.48) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1549139 0.84 PPARA (0.60) PPARAPPARDPPARG
SCHEMBL1549730 0.83 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL5188291 0.83 PPARD (0.47) PPARAPPARDPPARGMAOBFOS
SCHEMBL1550163 0.82 EPHX2 (0.40) PPARAPPARDPPARGEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
US-20050096337-A1 Phenyl 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARA 2/4885PPARD 1/4885PPARG 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.