SCHEMBL3628133

SCHEMBL3628133

COC(=O)C=C[C@H]1CC[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.39
RIPK1 Q13546 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FFAR2 O15552 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GPX4 P36969 1/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL2581199 1.00 STS (0.39) STSRIPK1MEN1KMT2AFFAR2
SCHEMBL2587020 0.88 RIPK1 (0.41) STSRIPK1FFAR2
SCHEMBL2584569 0.86 FFAR2 (0.39) RIPK1FFAR2
SCHEMBL2581640 0.86 FFAR2 (0.39) RIPK1FFAR2
SCHEMBL4056330 0.85 FFAR2 (0.41) RIPK1MEN1KMT2AFFAR2SLC6A2
SCHEMBL4056327 0.85 FFAR2 (0.41) RIPK1MEN1KMT2AFFAR2SLC6A2
SCHEMBL31134273 0.84 FFAR2 (0.41) STSRIPK1MEN1KMT2AFFAR2
SCHEMBL2583332 0.83 RIPK1 (0.37) RIPK1FFAR2
SCHEMBL2588804 0.81 RIPK1 (0.44) RIPK1KMT2A
SCHEMBL2577892 0.80 GPR119 (0.35)

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-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 STS 1052/4885RIPK1 2821/4885MEN1 597/4885

“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.