SCHEMBL5752238

SCHEMBL5752238

CCC(C)(F)C(F)c1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.44
PPARG P37231 5/20 0.38
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PPARA Q07869 4/20 0.33
PTGS2 P35354 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CNR2 P34972 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
FFAR1 O14842 1/20 0.32
PTGS1 P23219 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
SCHEMBL5751666 0.90 SLC1A1 (0.43) SLC1A1PPARGKMT2AMEN1PPARA
SCHEMBL5754855 0.82 SLC1A1 (0.48) SLC1A1PPARGKMT2APPARAPTGS2
SCHEMBL5752317 0.81 SLC1A1 (0.43) SLC1A1PPARGKMT2APPARAKDM4E
SCHEMBL5752844 0.81 SLC1A1 (0.45) SLC1A1PPARGPPARAPTGS2KDM4E
SCHEMBL5751805 0.78 SLC1A1 (0.47) SLC1A1PPARGKMT2AMEN1PPARA
SCHEMBL5752490 0.78 SLC1A1 (0.44) SLC1A1PPARGKMT2APPARAKDM4E
SCHEMBL5749740 0.77 SLC1A1 (0.43) SLC1A1PPARGPPARAKDM4EALDH1A1
SCHEMBL5748762 0.76 CETP (0.46) SLC1A1PPARGPPARA
SCHEMBL5751725 0.76 SLC1A1 (0.44) SLC1A1PPARGPPARAKDM4EALDH1A1
SCHEMBL5753245 0.76 SLC1A1 (0.44) SLC1A1PPARGPPARATRPM8

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 SLC1A1 343/4885PPARG 905/4885RIPK1 4659/4885

“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.