SCHEMBL4575447

SCHEMBL4575447

CC(C)(Oc1ccc(CCN(Cc2ccc(-c3noc(C4CC4)n3)cc2)c2noc(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PPARA Q07869 9/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 4/20 0.42
NR1H4 Q96RI1 1/20 0.41
STAT3 P40763 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC5 Q9UQL6 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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 0.93 PPARA (0.43) FFAR1PPARAPPARGPPARDSTAT3
SCHEMBL4575686 0.91 PPARA (0.42) PPARAPPARGPPARDNR1H4LMNA
SCHEMBL4598247 0.91 PPARA (0.43) PPARAPPARGPPARDNR1H4LMNA
SCHEMBL4575133 0.91 FABP1 (0.40) FFAR1PPARAPPARGPPARDNR1H4
SCHEMBL4575562 0.90 PPARA (0.41) FFAR1PPARAPPARGPPARDNR1H4
SCHEMBL4575317 0.89 PPARA (0.39) PPARAPPARGPPARDSTAT3LMNA
SCHEMBL14277970 0.89 PPARA (0.43) FFAR1PPARAPPARGPPARDNR1H4
SCHEMBL4575433 0.89 PPARA (0.44) FFAR1PPARAPPARGPPARDNR1H4
SCHEMBL4574848 0.88 LMNA (0.43) FFAR1PPARAPPARGPPARDMEN1
SCHEMBL4575966 0.88 FABP1 (0.40) PPARAPPARGPPARDNR1H4LMNA

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-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 FFAR1 16/4885PPARA 2/4885PPARG 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.