SCHEMBL5751900

SCHEMBL5751900

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.33
BACE1 P56817 8/20 0.32
BACE2 Q9Y5Z0 5/20 0.32
RXFP1 Q9HBX9 7/20 0.32
HTR2A P28223 1/20 0.31
TSPO P30536 1/20 0.31
GPR183 P32249 1/20 0.31
APLNR P35414 1/20 0.31
PTGER4 P35408 1/20 0.31
CCR1 P32246 1/20 0.30

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
SCHEMBL5753753 0.86 PTGER4 (0.36) UGCGBACE1BACE2PTGER4
SCHEMBL5754766 0.85 BACE1 (0.34) UGCGBACE1BACE2PTGER4
SCHEMBL5751713 0.85 BACE1 (0.34) UGCGBACE1BACE2PTGER4
SCHEMBL5752551 0.85 UGCG (0.33) UGCGBACE1BACE2RXFP1PTGER4
SCHEMBL5751109 0.85 UGCG (0.39) UGCGBACE1BACE2PTGER4
SCHEMBL5752139 0.85 BACE1 (0.39) UGCGBACE1BACE2PTGER4
SCHEMBL5751578 0.84 UGCG (0.39) UGCGBACE1BACE2
SCHEMBL5751530 0.84 CETP (0.35) UGCGBACE1BACE2
SCHEMBL5752767 0.84 CETP (0.35) UGCGBACE1BACE2
SCHEMBL1900082 0.84 PTGER4 (0.38) UGCGBACE1BACE2PTGER4

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 835/4885BACE2 1392/4885

“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.