SCHEMBL4575411

SCHEMBL4575411

C=Cc1ccc(N(CCc2ccc(OC(C)(C)C(=O)OCC)cc2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
PPARA Q07869 12/20 0.39
PPARD Q03181 6/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARG P37231 4/20 0.38
MAOB P27338 2/20 0.37
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MCHR1 Q99705 2/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4575509 0.88 PPARA (0.40) FBP1PPARAPPARDABCB11CYP1A2
SCHEMBL4575784 0.88 PPARA (0.40) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4575691 0.88 MAOB (0.44) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4576065 0.88 MAOB (0.40) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4575218 0.87 PPARA (0.39) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4575588 0.85 FBP1 (0.41) FBP1PPARAPPARDABCB11CYP1A2
SCHEMBL4574832 0.85 FBP1 (0.40) FBP1PPARAPPARDABCB11CYP1A2
SCHEMBL4575563 0.85 MCHR1 (0.38) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL4575347 0.85 GRM2 (0.39) FBP1PPARAPPARDABCB11CYP1A2
SCHEMBL4575876 0.84 FBP1 (0.40) FBP1PPARAPPARDABCB11CYP1A2

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 FBP1 241/4885PPARA 2/4885PPARD 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.