SCHEMBL2579801

SCHEMBL2579801

C=CCC(=O)N1[C@@H](/C=C\C(=O)OC)COC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.33
MDM2 Q00987 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL2578078 1.00 GPX4 (0.33) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL2578081 1.00 GPX4 (0.33) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL2583127 0.87 FFAR2 (0.35) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL3617782 0.87 FFAR2 (0.35) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL2584669 0.85 SLC6A2 (0.36) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL2584668 0.85 SLC6A2 (0.36) GPX4MDM2SLC6A2SLC6A4SLC6A3
SCHEMBL2585794 0.83
SCHEMBL2581650 0.83
SCHEMBL3621216 0.83
SCHEMBL2588030 0.75 FFAR2 (0.39) MDM2TP53RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 GPX4 4385/4885MDM2 849/4885SLC6A2 3307/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 GPX4 4385/4885MDM2 849/4885SLC6A2 3307/4885

“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.