SCHEMBL4187475

SCHEMBL4187475

CSc1ccc(-c2cc(OCC(=O)O)c(C)cc2OCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.68
PPARA Q07869 7/20 0.53
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.47
PTGDR2 Q9Y5Y4 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
SCHEMBL4189810 0.90 PPARD (0.59) PPARDPPARA
SCHEMBL4194397 0.89 PPARD (0.69) PPARDPPARAALDH1A1L3MBTL1PPARG
SCHEMBL4182924 0.89 PPARD (0.74) PPARDPPARAPTGDR2
SCHEMBL4189343 0.89 PPARD (0.68) PPARDPPARAALDH1A1L3MBTL1PPARG
SCHEMBL4187410 0.89 PPARD (0.73) PPARDPPARAALDH1A1L3MBTL1
SCHEMBL4196347 0.87 PPARD (0.71) PPARDPPARAALDH1A1L3MBTL1PPARG
SCHEMBL4186857 0.87 PPARD (0.70) PPARDPPARAALDH1A1L3MBTL1PPARG
SCHEMBL4194378 0.86 PPARD (0.67) PPARDPPARAALDH1A1L3MBTL1PTGDR2
SCHEMBL4178498 0.86 PPARD (0.67) PPARDPPARAALDH1A1L3MBTL1PPARG
SCHEMBL4181303 0.85 PPARD (0.67) PPARDPPARAALDH1A1L3MBTL1PTGDR2

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 8 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
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 PPARD 3/4885PPARA 2/4885ALDH1A1 1696/4885

“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.