SCHEMBL5752847

SCHEMBL5752847

CC(C)(C)C(Cc1ccccc1)C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.43
BCHE P06276 4/20 0.43
CNR2 P34972 1/20 0.43
FPR2 P25090 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CETP P11597 1/20 0.38
KCNH2 Q12809 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL5753593 0.84 FPR2 (0.46) BACE1BCHECNR2FPR2NOS3
SCHEMBL5753769 0.83 CNR2 (0.61) BACE1CNR2RAB9AKDM4EALDH1A1
SCHEMBL5752315 0.83 CNR2 (0.45) BACE1CNR2FPR2NOS3NOS1
SCHEMBL5752076 0.82 NOS3 (0.44) CNR2FPR2NOS3NOS1NOS2
SCHEMBL6580474 0.82 NOS3 (0.44) CNR2FPR2NOS3NOS1NOS2
SCHEMBL5751410 0.82 NOS3 (0.47) CNR2NOS3NOS1NOS2ALDH1A1
SCHEMBL5753673 0.81 FFAR2 (0.52) BACE1CNR2FPR2KDM4EALDH1A1
SCHEMBL5751446 0.80 CTSL (0.50) CNR2NOS3NOS1NOS2
SCHEMBL5754058 0.80 HPGD (0.46) BACE1BCHECNR2NOS3NOS1
SCHEMBL5751792 0.80 LMNA (0.49) BACE1CNR2FPR2

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 835/4885BCHE 334/4885CNR2 485/4885

“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.