SCHEMBL4513907

SCHEMBL4513907

COC(=O)C=C[C@H]1CC[C@@H](c2cc(F)ccc2F)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NTRK1 P04629 11/20 0.37
JAK2 O60674 2/20 0.35
FFAR2 O15552 2/20 0.34
RIPK1 Q13546 1/20 0.34
HCRTR2 O43614 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
SCHEMBL4513904 1.00 MEN1 (0.37) MEN1KMT2AATMNTRK1JAK2
SCHEMBL4514530 0.91 ATM (0.35) ATMFFAR2HCRTR2
SCHEMBL4514527 0.91 ATM (0.35) ATMFFAR2HCRTR2
SCHEMBL4516997 0.87 FFAR2 (0.30) FFAR2
SCHEMBL4517001 0.87 FFAR2 (0.30) FFAR2
SCHEMBL2584042 0.86 NTRK1 (0.45) NTRK1JAK2
SCHEMBL2583865 0.86 NTRK1 (0.34) MEN1KMT2AATMNTRK1JAK2
SCHEMBL4520274 0.85 ALDH1A1 (0.32) FFAR2
SCHEMBL4520275 0.85 ALDH1A1 (0.32) FFAR2
SCHEMBL4087600 0.83 FFAR2 (0.44) ATMFFAR2HCRTR2

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP 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 MEN1 184/4885KMT2A 3271/4885ATM 1499/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885ATM 1499/4885

“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.