SCHEMBL1550166

SCHEMBL1550166

CCOC(=O)CCc1ccc(OCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.49
PPARA Q07869 6/20 0.49
PPARG P37231 3/20 0.49
MAOB P27338 1/20 0.43
GSTP1 P09211 2/20 0.41
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL1549165 0.91 PPARD (0.59) PPARDPPARAPPARGGSTP1FFAR1
SCHEMBL27642969 0.87 PPARD (0.53) PPARDPPARAPPARGGSTP1FFAR1
SCHEMBL4424009 0.85 TRPM2 (0.40) PPARDPPARAPPARGMAOBGSTP1
SCHEMBL4430360 0.84 PPARG (0.41) PPARDPPARAPPARGMAOBGSTP1
SCHEMBL1549750 0.83 PPARD (0.53) PPARDPPARAPPARGMAOBGSTP1
SCHEMBL1550193 0.83 TP53 (0.45) PPARDPPARAMAOBGSTP1FFAR1
SCHEMBL6030172 0.82 PPARD (0.44) PPARDPPARAMAOBGSTP1
SCHEMBL5668158 0.82 PPARD (0.48) PPARDPPARAPPARG
SCHEMBL6029336 0.81 PPARD (0.51) PPARDPPARAPPARGMAOBGSTP1
SCHEMBL6017387 0.81 TRPV1 (0.40) PPARDPPARAPPARGMAOBGSTP1

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 8 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
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 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
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 EP disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 WO 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 1/4885PPARA 2/4885PPARG 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.