SCHEMBL3975952

SCHEMBL3975952

COC(=O)[C@@H](Cc1ccccc1)Oc1ccc(C(OCc2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.54
PPARA Q07869 15/20 0.54
PTPN1 P18031 1/20 0.46

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
SCHEMBL3975957 1.00 PPARG (0.54) PPARGPPARAPTPN1
SCHEMBL5613806 0.84 PPARG (0.43) PPARGPPARA
SCHEMBL4257976 0.83 PPARG (0.44) PPARGPPARAPTPN1
SCHEMBL4257969 0.83 PPARG (0.44) PPARGPPARAPTPN1
SCHEMBL3981219 0.82 PPARG (0.43) PPARGPPARA
SCHEMBL3981216 0.82 PPARG (0.43) PPARGPPARA
SCHEMBL3985565 0.82 PPARG (0.43) PPARGPPARA
SCHEMBL5992928 0.77 PPARG (0.76) PPARGPPARA
SCHEMBL29163290 0.76 PPARG (0.65) PPARGPPARAPTPN1
SCHEMBL9128983 0.75 PPARG (0.74) PPARGPPARA

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-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US disclosed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP disclosed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 PPARG 22/4885PPARA 23/4885PTPN1 3037/4885

“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.