SCHEMBL1549979

SCHEMBL1549979

CCOC(=O)C(C)(C)Oc1cc(CCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
MAPT P10636 5/20 0.40
TP53 P04637 5/20 0.40
PPARD Q03181 5/20 0.40
PPARG P37231 3/20 0.40
TACR3 P29371 1/20 0.39
POLB P06746 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL1549293 0.91 PPARA (0.57) PPARAMAPTTP53PPARDPPARG
SCHEMBL1549944 0.90 PPARA (0.48) PPARAMAPTTP53PPARDPPARG
SCHEMBL6106937 0.89 PPARA (0.57) PPARAMAPTTP53PPARDPPARG
SCHEMBL1550003 0.88 TP53 (0.43) PPARAMAPTTP53PPARDPPARG
SCHEMBL1549631 0.83 PPARA (0.49) PPARAPPARDPPARGROCK2ROCK1
SCHEMBL1549943 0.82 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL1549412 0.81 PPARA (0.42) PPARAMAPTTP53PPARDPPARG
SCHEMBL1548373 0.80 PPARA (0.56) PPARAPPARDPPARG
SCHEMBL1549200 0.80 PPARA (0.69) PPARAMAPTPPARDPPARG
SCHEMBL5937484 0.79 PPARD (0.45) PPARAPPARDPPARG

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 PPARA 2/4885MAPT 2957/4885TP53 2484/4885

“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.