SCHEMBL4576143

SCHEMBL4576143

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)C(N)=NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.43
PPARD Q03181 8/20 0.43
PPARG P37231 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 3/20 0.36
NR1H2 P55055 3/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL4576139 1.00 PPARA (0.43) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575174 0.90 PPARA (0.43) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575170 0.90 PPARA (0.43) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575309 0.89 PPARA (0.55) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575313 0.89 PPARA (0.55) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575123 0.78 PPARA (0.45) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL4575333 0.73 PPARA (0.48) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL25299494 0.70 PPARA (0.49) PPARAPPARDPPARGNR1H2NR1H3
SCHEMBL14277886 0.70 PPARA (0.54) PPARAPPARDPPARG
SCHEMBL4575316 0.70 PPARA (0.51) 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 2 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

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.