SCHEMBL4575237

SCHEMBL4575237

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2noc(C(C)C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.39
PPARD Q03181 11/20 0.39
PPARG P37231 9/20 0.39
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
GRM2 Q14416 1/20 0.35
FFAR1 O14842 1/20 0.35
MAOB P27338 1/20 0.35
PSMB5 P28074 1/20 0.33

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
SCHEMBL4575635 0.90 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL4575367 0.83 PPARA (0.43) PPARAPPARDPPARG
SCHEMBL4575271 0.81 PPARA (0.41) PPARAPPARDPPARG
SCHEMBL4575795 0.81 PPARA (0.44) PPARAPPARDPPARGFFAR1
SCHEMBL4575053 0.80 PPARA (0.41) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL4575298 0.80 PPARA (0.51) PPARAPPARDPPARG
SCHEMBL4575145 0.80 PPARA (0.47) PPARAPPARDPPARG
SCHEMBL4575218 0.79 PPARA (0.39) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL4575119 0.79 PPARA (0.48) PPARAPPARDPPARGFFAR1
SCHEMBL4574847 0.78 PPARA (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885PPARG 1/4885

“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.