SCHEMBL4575317

SCHEMBL4575317

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.39
PPARD Q03181 5/20 0.39
PPARG P37231 4/20 0.39
S1PR1 P21453 8/20 0.38
STAT3 P40763 1/20 0.38
NPY2R P49146 1/20 0.37
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
AOC3 Q16853 2/20 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
SCHEMBL4575831 0.90 PPARA (0.43) PPARAPPARDPPARGSTAT3LMNA
SCHEMBL4574848 0.90 LMNA (0.43) PPARAPPARDPPARGLMNATSHR
SCHEMBL4575447 0.89 FFAR1 (0.43) PPARAPPARDPPARGSTAT3LMNA
SCHEMBL4598247 0.88 PPARA (0.43) PPARAPPARDPPARGS1PR1LMNA
SCHEMBL4575966 0.88 FABP1 (0.40) PPARAPPARDPPARGS1PR1LMNA
SCHEMBL4575126 0.88 TUBB4A (0.41) PPARAPPARDPPARGS1PR1LMNA
SCHEMBL4576160 0.87 PPARA (0.44) PPARAPPARDPPARGLMNATSHR
SCHEMBL4575348 0.87 NPC1 (0.41) PPARAPPARDPPARGNPY2RLMNA
SCHEMBL4575686 0.87 PPARA (0.42) PPARAPPARDPPARGLMNATSHR
SCHEMBL4576216 0.87 MEN1 (0.41) PPARAPPARDPPARGS1PR1LMNA

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
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

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.