SCHEMBL4182938

SCHEMBL4182938

COc1ccc(-c2cc(OCC(=O)O)c(C)cc2OCc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.67
PPARA Q07869 2/20 0.67
SGK1 O00141 1/20 0.53
PTGS2 P35354 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13774946 0.93 PPARD (0.56) PPARDPPARASGK1PTGS2MAPT
SCHEMBL4194366 0.92 PPARD (0.77) PPARDPPARAMAPTRAB9AL3MBTL1
SCHEMBL4190207 0.91 PPARD (0.55) PPARDPPARASGK1PTGS2MAPT
SCHEMBL4180044 0.90 PPARD (0.73) PPARDPPARAMAPTRAB9AL3MBTL1
SCHEMBL4194591 0.89 PPARD (0.72) PPARDPPARAMAPTRAB9AL3MBTL1
SCHEMBL4188963 0.88 PPARD (0.73) PPARDPPARAMAPTRAB9AL3MBTL1
SCHEMBL4186781 0.87 PPARD (0.69) PPARDPPARAMAPTRAB9AL3MBTL1
SCHEMBL4182924 0.86 PPARD (0.74) PPARDPPARA
SCHEMBL4183182 0.86 PPARD (0.67) PPARDPPARAL3MBTL1
SCHEMBL4187381 0.86 PPARD (0.67) PPARDPPARAMAPTL3MBTL1

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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US 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

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 2/4885SGK1 3582/4885

“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.