SCHEMBL4189949

SCHEMBL4189949

CC(C)(Oc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.59
PPARD Q03181 9/20 0.59
PPARG P37231 7/20 0.55
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
ATP4A P20648 1/20 0.47
ATP4B P51164 1/20 0.47

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
SCHEMBL4182953 0.95 PPARD (0.54) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4620806 0.84 PPARD (0.71) PPARAPPARDPPARG
SCHEMBL4185346 0.84 PPARG (0.53) PPARAPPARDPPARGALDH1A1HDAC3
SCHEMBL4184384 0.84 PPARD (0.63) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4193737 0.84 PPARD (0.63) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4191088 0.82 HDAC3 (0.52) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4185351 0.81 PPARD (0.64) PPARAPPARDPPARG
SCHEMBL4194429 0.80 PPARD (0.54) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4194384 0.79 HDAC3 (0.51) PPARAPPARDPPARGALDH1A1L3MBTL1
SCHEMBL4183003 0.78 PPARD (0.83) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US claimed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP claimed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO claimed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS 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.