SCHEMBL2581475

SCHEMBL2581475

C=CCC(=O)N1[C@@H](/C=C/C(=O)OCC)CC[C@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.31
P2RX7 Q99572 1/20 0.30
FFAR2 O15552 1/20 0.30
ALDH1A1 P00352 1/20 0.30
XPO1 O14980 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
SCHEMBL3626367 1.00 L3MBTL1 (0.32) L3MBTL1TDP1P2RX7FFAR2ALDH1A1
SCHEMBL2587429 0.86 TDP1 (0.34) L3MBTL1TDP1ALDH1A1XPO1
SCHEMBL4509622 0.85
SCHEMBL4509615 0.85
SCHEMBL2588375 0.84 HDAC1 (0.33) L3MBTL1
SCHEMBL2588376 0.84 HDAC1 (0.33) L3MBTL1
SCHEMBL2581022 0.84 RIPK1 (0.30)
SCHEMBL2584839 0.84 RIPK1 (0.30)
SCHEMBL2585729 0.81 FFAR2 (0.35) P2RX7FFAR2
SCHEMBL4508846 0.79 RIPK1 (0.30)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-7737141-B2 such as -{4-{1-[(S)-1-(4-fluorophenyl)ethyl]-2-oxopiperidin-(3E)-ylidenemethyl}-2-methoxyphenyl}-5-methyl-1-(phosphonooxymethyl)-3H-imidazol-1-ium trifluoroacetate, which inhibit the synthesis of amyloid precursor proteins; treatment of Alzheimer's disease, Down syndrome or amyloidosis EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-06-15 US disclosed
EP-2048143-A1 PRODRUG OF CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
US-20090048213-A1 Prodrug of cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2009-02-19 US 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-20090048213-A1 Prodrug of cinnamide compound BTK, CNKSR1, AKT1 L3MBTL1 3600/4885TDP1 3154/4885P2RX7 740/4885

“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.