SCHEMBL5751305

SCHEMBL5751305

CC(C)(C)N(C(=O)O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1cccc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FFAR2 O15552 3/20 0.36
SCN9A Q15858 2/20 0.35
CNR1 P21554 1/20 0.35
UTS2R Q9UKP6 3/20 0.34
SLC6A9 P48067 1/20 0.34
MDM2 Q00987 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
PIN1 Q13526 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL5749557 0.80 FFAR2 (0.42) PPARGPPARAFFAR2CNR1UTS2R
SCHEMBL5754817 0.79 PPARA (0.44) PPARGPPARAFFAR2SCN9AITGB1
SCHEMBL1594483 0.78 PPARG (0.40) PPARGPPARASLC6A9
SCHEMBL1594480 0.78 PPARG (0.40) PPARGPPARASLC6A9
SCHEMBL7117611 0.77 FFAR2 (0.42) PPARGPPARAFFAR2SCN9ACNR1
SCHEMBL5753177 0.76 NOS3 (0.39) PPARGPPARASLC6A9
SCHEMBL5752730 0.76 SCN9A (0.38) PPARGPPARAFFAR2SCN9A
SCHEMBL5751854 0.75 PPARG (0.43) PPARGPPARASCN9A
SCHEMBL4441849 0.66 CTSA (0.38) SCN9AUTS2R
SCHEMBL531859 0.66 HPGD (0.45) KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PPARG 905/4885PPARA 708/4885FFAR2 184/4885

“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.