SCHEMBL5748432

SCHEMBL5748432

O=C(NC(Cc1cccc(OCC(F)(F)F)c1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
UGCG Q16739 1/20 0.37
MCHR1 Q99705 1/20 0.37
BACE1 P56817 5/20 0.37
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
PAX8 Q06710 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CETP P11597 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
SCHEMBL5753546 0.93 HTR1A (0.40) NPSR1MEN1LMNAMAPTHTT
SCHEMBL5755540 0.90 MAPK14 (0.41) UGCGBACE1CETP
SCHEMBL1900658 0.88 CETP (0.39) LMNAMAPTBACE1EPHX2CETP
SCHEMBL1900660 0.88 CETP (0.39) LMNAMAPTBACE1EPHX2CETP
SCHEMBL5754542 0.88 CETP (0.39) LMNAMAPTBACE1EPHX2CETP
SCHEMBL5752714 0.88 PPARG (0.39) BACE1
SCHEMBL5752370 0.87 BACE1 (0.41) BACE1KDM4ES1PR3DGAT2ALDH1A1
SCHEMBL5751020 0.87 MDM2 (0.43) MEN1LMNAKMT2AMCHR1BACE1
SCHEMBL5752618 0.84 HPGDS (0.37) MEN1KMT2AUGCGMCHR1BACE1
SCHEMBL5749779 0.83 CETP (0.40) LMNABACE1EPHX2CETPALDH1A1

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 NPSR1 2262/4885MEN1 2847/4885LMNA 2989/4885

“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.