SCHEMBL5751899

SCHEMBL5751899

CCC(CC)CC1(C(=O)NC(Cc2cccc(OC(F)(F)C(F)F)c2)C(O)c2ccc(F)cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.37
S1PR2 O95136 4/20 0.36
BACE1 P56817 7/20 0.35
EPHX2 P34913 1/20 0.35
CTSD P07339 2/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 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
SCHEMBL5750069 0.79 CETP (0.41) CETPBACE1
SCHEMBL5751180 0.77 CTSS (0.43) CETPBACE1
SCHEMBL1899579 0.76 CTSL (0.40) CETPBACE1
SCHEMBL1901979 0.76 CTSL (0.40) CETPBACE1
SCHEMBL5752574 0.75 KLK1 (0.44) CETP
SCHEMBL5749779 0.74 CETP (0.40) CETPBACE1EPHX2
SCHEMBL1900660 0.74 CETP (0.39) CETPBACE1EPHX2
SCHEMBL5754542 0.74 CETP (0.39) CETPBACE1EPHX2
SCHEMBL1900658 0.74 CETP (0.39) CETPBACE1EPHX2
SCHEMBL5750963 0.72 BACE1 (0.34) CETPBACE1EPHX2

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 CETP 1/4885S1PR2 983/4885BACE1 835/4885

“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.