SCHEMBL4514530

SCHEMBL4514530

COC(=O)C=C[C@H]1CC[C@@H](c2ccc(F)cc2F)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
FFAR2 O15552 4/20 0.34
P2RX7 Q99572 4/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 1/20 0.32
CPS1 P31327 2/20 0.32

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
SCHEMBL4514527 1.00 ATM (0.35) ATMFFAR2P2RX7HCRTR2TP53
SCHEMBL4513907 0.91 MEN1 (0.37) ATMFFAR2HCRTR2
SCHEMBL4513904 0.91 MEN1 (0.37) ATMFFAR2HCRTR2
SCHEMBL4516997 0.87 FFAR2 (0.30) FFAR2
SCHEMBL4517001 0.87 FFAR2 (0.30) FFAR2
SCHEMBL2588658 0.86 NTRK1 (0.38) ATMTP53
SCHEMBL2584595 0.86 MEN1 (0.34) ATMFFAR2TP53
SCHEMBL4520274 0.85 ALDH1A1 (0.32) FFAR2
SCHEMBL4520275 0.85 ALDH1A1 (0.32) FFAR2
SCHEMBL4514257 0.84 RIPK1 (0.41) FFAR2

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 ATM 1499/4885FFAR2 3021/4885P2RX7 1836/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ATM 1499/4885FFAR2 3021/4885P2RX7 1836/4885

“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.