SCHEMBL5753313

SCHEMBL5753313

O=C(NC(Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2)C(O)c1ccc(F)cc1)c1cccc2c1C=CCCC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
UGCG Q16739 4/20 0.33
PTGER4 P35408 1/20 0.32
HTT P42858 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CXCR5 P32302 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2136000 0.84 PTGER4 (0.39) BACE1BACE2UGCGPTGER4HTT
SCHEMBL5752139 0.83 BACE1 (0.39) BACE1BACE2UGCGPTGER4HTT
SCHEMBL1900082 0.82 PTGER4 (0.38) BACE1BACE2UGCGPTGER4CXCR5
SCHEMBL5751536 0.82 PTGER4 (0.38) BACE1BACE2UGCGPTGER4HTT
SCHEMBL5753753 0.81 PTGER4 (0.36) BACE1BACE2UGCGPTGER4
SCHEMBL5752436 0.81 BACE1 (0.38) BACE1BACE2UGCGPTGER4HTT
SCHEMBL5751713 0.81 BACE1 (0.34) BACE1BACE2UGCGPTGER4HTT
SCHEMBL5752551 0.81 UGCG (0.33) BACE1BACE2UGCGPTGER4
SCHEMBL5754766 0.81 BACE1 (0.34) BACE1BACE2UGCGPTGER4HTT
SCHEMBL5751109 0.81 UGCG (0.39) BACE1BACE2UGCGPTGER4

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 BACE1 835/4885BACE2 1392/4885UGCG 740/4885

“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.