SCHEMBL1549944

SCHEMBL1549944

CCOC(=O)C(C)(C)Oc1cccc(CCNC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.48
PPARG P37231 11/20 0.48
RIPK1 Q13546 1/20 0.41
PPARD Q03181 11/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL1549631 0.92 PPARA (0.49) PPARAPPARGRIPK1PPARD
SCHEMBL1548373 0.91 PPARA (0.56) PPARAPPARGRIPK1PPARD
SCHEMBL6106937 0.90 PPARA (0.57) PPARAPPARGPPARDTP53MAPT
SCHEMBL1549979 0.90 PPARA (0.47) PPARAPPARGPPARDTP53MAPT
SCHEMBL1549853 0.87 PPARA (0.47) PPARAPPARGPPARDTP53MAPT
SCHEMBL1549943 0.83 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL1548887 0.83 PPARA (0.46) PPARAPPARGRIPK1PPARD
SCHEMBL1549118 0.82 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL5669949 0.81 PPARA (0.44) PPARAPPARGPPARD
SCHEMBL5667232 0.81 PPARA (0.42) PPARAPPARGPPARDLMNA

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 2/4885PPARG 3/4885RIPK1 3892/4885

“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.