SCHEMBL5752919

SCHEMBL5752919

O=C(O)c1ccc(C(O)C(Cc2cccc(OC(F)(F)C(F)F)c2)NC(=O)c2cccc3c2C=CCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.38
PTGER2 P43116 1/20 0.35
CETP P11597 3/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PTGDR Q13258 1/20 0.33
NAMPT P43490 1/20 0.33
UGCG Q16739 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
SCHEMBL5752953 0.95 PTGER4 (0.37) PTGER4PTGER2CETP
SCHEMBL5755944 0.93 PTGER4 (0.34) PTGER4CETPCTSDBACE1BACE2
SCHEMBL5749781 0.93 CETP (0.33) PTGER4PTGER2CETPCTSDBACE1
SCHEMBL5753992 0.93 NAMPT (0.38) CETPCTSDBACE1BACE2NAMPT
SCHEMBL5751175 0.93 BACE1 (0.34) PTGER4CETPCTSDBACE1BACE2
SCHEMBL1899668 0.93 CETP (0.38) CETPUGCG
SCHEMBL5753971 0.93 CETP (0.36) CETPCTSDBACE1BACE2NAMPT
SCHEMBL5752659 0.93 CETP (0.35) CETPCTSDBACE1BACE2NAMPT
SCHEMBL5752767 0.93 CETP (0.35) CETPBACE1BACE2UGCG
SCHEMBL5751530 0.93 CETP (0.35) CETPBACE1BACE2UGCG

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 PTGER4 1632/4885PTGER2 1301/4885CETP 1/4885

“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.