SCHEMBL5752432

SCHEMBL5752432

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SLC1A1 P43005 2/20 0.43
NR4A2 P43354 3/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CETP P11597 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
PAX8 Q06710 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL5752306 0.90 HTR1A (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5753245 0.86 SLC1A1 (0.44) SLC1A1CETPPPARGMRGPRX4PPARA
SCHEMBL5748762 0.84 CETP (0.46) SLC1A1CETPPPARGPPARA
SCHEMBL5753722 0.84 FFAR1 (0.49) SLC1A1CETPPPARGPPARA
SCHEMBL5749740 0.83 SLC1A1 (0.43) SLC1A1NR4A2CETPPPARGMRGPRX4
SCHEMBL5752681 0.83 CYP17A1 (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL5751076 0.83 SLC1A1 (0.45) SMN1; SMN2NPSR1SLC1A1NR4A2CETP
SCHEMBL5751805 0.82 SLC1A1 (0.47) MEN1MAPTKMT2ASLC1A1NR4A2
SCHEMBL5752844 0.78 SLC1A1 (0.45) SLC1A1CYP2C9CYP2C19PPARGPPARA
SCHEMBL5752490 0.77 SLC1A1 (0.44) KMT2ANPSR1SLC1A1PPARGPPARA

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 MEN1 2847/4885LMNA 2989/4885MAPT 2688/4885

“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.