SCHEMBL1549914

SCHEMBL1549914

CCOC(=O)C(C)(C)Oc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.40
FFAR1 O14842 1/20 0.40
PPARA Q07869 5/20 0.40
MAOB P27338 1/20 0.38
FBP1 P09467 1/20 0.36
PPARG P37231 2/20 0.35
KDR P35968 1/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
GSTP1 P09211 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL1549188 0.91 PPARD (0.47) PPARDFFAR1PPARAPPARGFFAR4
SCHEMBL1550070 0.90 PPARD (0.43) PPARDFFAR1PPARAMAOBPPARG
SCHEMBL1549750 0.88 PPARD (0.53) PPARDPPARAMAOBPPARGGSTP1
SCHEMBL1550099 0.88 GSTP1 (0.41) PPARDPPARAMAOBPPARGFOS
SCHEMBL4431066 0.86 TDP1 (0.37) PPARDPPARAMAOBPPARGFOS
SCHEMBL1550507 0.81 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL1548892 0.80 PPARD (0.43) PPARDFFAR1PPARAMAOBPPARG
SCHEMBL1550624 0.80 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL1549637 0.80 PPARA (0.44) PPARDPPARAMAOBPPARGFOS
SCHEMBL1550077 0.80 GRM2 (0.40) PPARDPPARAMAOBFBP1PPARG

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-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
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 PPARD 1/4885FFAR1 18/4885PPARA 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.