SCHEMBL5751109

SCHEMBL5751109

O=C(NC(Cc1cccc(OC(F)(F)F)c1)C(O)c1ccc(F)cc1)c1cccc2c1C=CCCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.39
BACE1 P56817 8/20 0.35
CTSD P07339 4/20 0.35
BACE2 Q9Y5Z0 3/20 0.35
NAMPT P43490 1/20 0.35
PTGER4 P35408 1/20 0.35
CETP P11597 1/20 0.34
ACACB O00763 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL5751530 0.94 CETP (0.35) UGCGBACE1BACE2CETP
SCHEMBL5752767 0.94 CETP (0.35) UGCGBACE1BACE2CETP
SCHEMBL5751951 0.92 PTGER4 (0.40) UGCGBACE1BACE2PTGER4ACACB
SCHEMBL1901641 0.92 CETP (0.36) UGCGBACE1BACE2PTGER4CETP
SCHEMBL1901640 0.92 CETP (0.36) UGCGBACE1BACE2PTGER4CETP
SCHEMBL5751578 0.91 UGCG (0.39) UGCGBACE1BACE2PRMT5KDM4C
SCHEMBL5752436 0.90 BACE1 (0.38) UGCGBACE1BACE2PTGER4ACACB
SCHEMBL1897534 0.89 CETP (0.36) UGCGBACE1NAMPTCETP
SCHEMBL7125104 0.89 HTR1A (0.37) UGCGBACE1BACE2
SCHEMBL5754604 0.89 CETP (0.35) UGCGBACE1CETP

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 UGCG 740/4885BACE1 835/4885CTSD 4290/4885

“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.