SCHEMBL4575831

SCHEMBL4575831

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.43
PPARD Q03181 8/20 0.43
PPARG P37231 5/20 0.43
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STAT3 P40763 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMPD1 P17405 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
SCHEMBL4574848 0.93 LMNA (0.43) PPARAPPARDPPARGFFAR1LMNA
SCHEMBL4598247 0.93 PPARA (0.43) PPARAPPARDPPARGLMNAHTT
SCHEMBL4575447 0.93 FFAR1 (0.43) PPARAPPARDPPARGFFAR1LMNA
SCHEMBL4575126 0.92 TUBB4A (0.41) PPARAPPARDPPARGFFAR1LMNA
SCHEMBL4576216 0.91 MEN1 (0.41) PPARAPPARDPPARGFFAR1LMNA
SCHEMBL4576160 0.90 PPARA (0.44) PPARAPPARDPPARGFFAR1LMNA
SCHEMBL4574698 0.90 PPARA (0.46) PPARAPPARDPPARG
SCHEMBL4575317 0.90 PPARA (0.39) PPARAPPARDPPARGLMNAHTT
SCHEMBL4576191 0.89 PPARA (0.52) PPARAPPARDPPARGFFAR1
SCHEMBL4575172 0.88 ALDH1A1 (0.44) PPARAPPARDPPARGLMNAGAA

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 5 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-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.