SCHEMBL5747726

SCHEMBL5747726

O=C(O)C(Cc1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
KIF11 P52732 1/20 0.39
SLC1A1 P43005 2/20 0.39
DAO P14920 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ACE P12821 1/20 0.37
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 3/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL5752733 0.82 KMT2A (0.48) PPARGPPARASLC1A1AKR1C3AKR1C2
SCHEMBL5751624 0.82 PPARG (0.44) PPARGPPARAAKR1C3AKR1C2ACE
SCHEMBL5749682 0.82 PPARG (0.44) PPARGPPARAAKR1C3AKR1C2ACE
SCHEMBL5751574 0.81 KIF11 (0.41) FFAR1PPARGPPARDPPARAKIF11
SCHEMBL5751805 0.80 SLC1A1 (0.47) PPARGPPARASLC1A1AKR1C3AKR1C2
SCHEMBL5751742 0.77 KMT2A (0.44) PPARGPPARASLC1A1AKR1C3AKR1C2
SCHEMBL5749920 0.77 KMT2A (0.43) PPARGPPARAAKR1C3AKR1C2ACE
SCHEMBL5753316 0.77 PPARG (0.45) PPARGPPARAAKR1C3AKR1C2EPHX2
SCHEMBL5752317 0.76 SLC1A1 (0.43) PPARGPPARASLC1A1ACEKMT2A
SCHEMBL5753436 0.76 PTPN1 (0.44) PPARGPPARAKMT2AEPHX2

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 FFAR1 137/4885PPARG 905/4885PPARD 1222/4885

“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.