SCHEMBL5667232

SCHEMBL5667232

CCOC(=O)C(C)(C)Oc1ccc(CNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.42
PPARD Q03181 10/20 0.42
PPARG P37231 6/20 0.42
EPHX2 P34913 3/20 0.41
NR1H4 Q96RI1 3/20 0.41
LMNA P02545 1/20 0.41
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
FBP1 P09467 2/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 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
SCHEMBL1549559 0.91 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL1549943 0.87 PPARA (0.56) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1550194 0.86 EPHX2 (0.40) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1549631 0.85 PPARA (0.49) PPARAPPARDPPARGCYP3A4ROCK2
SCHEMBL1549843 0.83 PPARD (0.42) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL6106937 0.82 PPARA (0.57) PPARAPPARDPPARGLMNAABCB11
SCHEMBL1550809 0.81 EPHX2 (0.40) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1550163 0.81 EPHX2 (0.40) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL1549944 0.81 PPARA (0.48) PPARAPPARDPPARGLMNA
SCHEMBL1549989 0.81 EPHX2 (0.39) 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 4 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
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO 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.