SCHEMBL5752490

SCHEMBL5752490

O=C(O)C(Cc1cccc(CC(F)(F)C(F)F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.44
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 4/20 0.38
CPA1 P15085 1/20 0.36
PPARA Q07869 3/20 0.34
FOLH1 Q04609 1/20 0.34
CNR2 P34972 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 2/20 0.33
ACE P12821 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5752306 0.84 HTR1A (0.44) SLC1A1ALDH1A1NPSR1PPARGPPARA
SCHEMBL5752317 0.83 SLC1A1 (0.43) SLC1A1ALDH1A1NPSR1PPARGCPA1
SCHEMBL5751805 0.82 SLC1A1 (0.47) SLC1A1PPARGPPARAKMT2A
SCHEMBL5750837 0.82 HTR2A (0.34) SLC1A1ALDH1A1NPSR1PPARGKDM4E
SCHEMBL5748762 0.82 CETP (0.46) SLC1A1PPARGPPARA
SCHEMBL5751666 0.81 SLC1A1 (0.43) SLC1A1ALDH1A1PPARGPPARACNR2
SCHEMBL5752844 0.80 SLC1A1 (0.45) SLC1A1ALDH1A1PPARGPPARAKDM4E
SCHEMBL5751725 0.79 SLC1A1 (0.44) SLC1A1ALDH1A1PPARGCPA1PPARA
SCHEMBL5753245 0.79 SLC1A1 (0.44) SLC1A1PPARGPPARATRPM8
SCHEMBL5754855 0.78 SLC1A1 (0.48) SLC1A1ALDH1A1PPARGPPARAKDM4E

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 SLC1A1 343/4885ALDH1A1 783/4885NPSR1 2262/4885

“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.