SCHEMBL5753593

SCHEMBL5753593

O=C(O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
BACE1 P56817 5/20 0.45
CNR2 P34972 1/20 0.44
CTSL P07711 3/20 0.43
BCHE P06276 2/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PTPN1 P18031 1/20 0.42
ZAP70 P43403 1/20 0.40
CTSK P43235 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6580474 0.88 NOS3 (0.44) FPR2CNR2NOS3NOS1NOS2
SCHEMBL5752076 0.88 NOS3 (0.44) FPR2CNR2NOS3NOS1NOS2
SCHEMBL5752847 0.84 BACE1 (0.43) FPR2BACE1CNR2BCHENOS3
SCHEMBL5753769 0.84 CNR2 (0.61) BACE1CNR2ALDH1A1PTPN1
SCHEMBL5752315 0.84 CNR2 (0.45) FPR2BACE1CNR2NOS3NOS1
SCHEMBL5753639 0.82 MMP2 (0.46) FPR2CNR2CTSLALDH1A1
SCHEMBL5753673 0.82 FFAR2 (0.52) FPR2BACE1CNR2ALDH1A1
SCHEMBL5751446 0.81 CTSL (0.50) CNR2CTSLNOS3NOS1NOS2
SCHEMBL5755551 0.80 LMNA (0.49) FPR2BACE1CNR2
SCHEMBL5751792 0.80 LMNA (0.49) FPR2BACE1CNR2

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 FPR2 1918/4885BACE1 835/4885CNR2 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.