SCHEMBL4183437

SCHEMBL4183437

O=C(O)Cc1ccc(C2CC2)c(OCCc2nc(-c3ccc(OC(F)(F)F)cc3)co2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
GCGR P47871 3/20 0.38
GIPR P48546 2/20 0.38
SCN5A Q14524 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARD Q03181 3/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
DAGLB Q8NCG7 2/20 0.36
DAGLA Q9Y4D2 2/20 0.36
IDH1 O75874 4/20 0.35
SHMT2 P34897 1/20 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
SCHEMBL4185355 0.85 PSEN1 (0.41) PPARAPPARGS1PR1S1PR3PPARD
SCHEMBL4194352 0.84 CYP4F2 (0.41) NR1H4PPARAPPARGGCGRS1PR1
SCHEMBL4181320 0.84 NR1H4 (0.38) NR1H4PPARAPPARGSCN5APPARD
SCHEMBL4173695 0.74 PPARA (0.45) PPARAPPARGS1PR1S1PR3PPARD
SCHEMBL4187929 0.73 PSEN1 (0.43) PPARAPPARGPPARD
SCHEMBL4178505 0.73 PPARD (0.47) PPARAPPARGPPARD
SCHEMBL4194344 0.70 HDAC3 (0.48) PPARAPPARGPPARD
SCHEMBL4183405 0.70 PPARA (0.44) PPARAPPARGS1PR1S1PR3PPARD
SCHEMBL4184082 0.69 PPARD (0.38) PPARAPPARGS1PR1S1PR3PPARD
SCHEMBL4178469 0.69 PPARD (0.46) PPARAPPARGPPARD

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
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 NR1H4 61/4885PPARA 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.