SCHEMBL5755207

SCHEMBL5755207

NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ACP3 P15309 3/20 0.43
SLC6A9 P48067 1/20 0.43
TACR1 P25103 4/20 0.42
BACE1 P56817 1/20 0.42
CACNA1C Q13936 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HSD11B1 P28845 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
KCNK2 O95069 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTPN1 P18031 1/20 0.41
GRB2 P62993 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL5754276 0.88 MAPK14 (0.49) PPARGPPARABACE1CACNA1CSLC6A2
SCHEMBL5750053 0.86 TRPA1 (0.39) TACR1GRB2
SCHEMBL5750512 0.86 AKT1 (0.41) SLC6A2SLC6A4SLC6A3GRB2
SCHEMBL5751727 0.86 TRPA1 (0.39) TACR1GRB2
SCHEMBL6578585 0.86 TRPA1 (0.39) TACR1GRB2
SCHEMBL5750538 0.85 CNR2 (0.49) PPARGPPARASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5751082 0.85 TACR1 (0.39) TACR1
SCHEMBL5753401 0.84 SLC7A5 (0.45) ACP3
SCHEMBL27502071 0.83 EPHX1 (0.52) SLC6A2SLC6A4SLC6A3ADRA2AADRA2C
SCHEMBL5751819 0.81 CYP2D6 (0.51) PPARGPPARASLC6A9BACE1SLC6A4

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 3 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
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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 708/4885ACP3 1082/4885

“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.