SCHEMBL5386779

SCHEMBL5386779

CCOC(=O)C(C)(C)Oc1ccc(OCCNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.48
PPARA Q07869 16/20 0.48
PPARG P37231 14/20 0.41
CASR P41180 1/20 0.41
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL5186559 0.92 PPARD (0.57) PPARDPPARAPPARG
SCHEMBL5188291 0.90 PPARD (0.47) PPARDPPARAPPARGCASRFOS
SCHEMBL5186571 0.89 PPARD (0.45) PPARDPPARAPPARGCASRFOS
SCHEMBL5203845 0.86 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5937484 0.85 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL5188266 0.84 PPARA (0.42) PPARDPPARAPPARG
SCHEMBL1549350 0.83 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL1550171 0.82 PPARA (0.56) PPARDPPARAPPARGFOSJUN
SCHEMBL5187780 0.82 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL5188271 0.81 PPARD (0.56) PPARDPPARAPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed
US-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 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-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives 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.