SCHEMBL4085458

SCHEMBL4085458

C[C@@H](O)[C@H](NC(=O)O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ANPEP P15144 4/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PTGS2 P35354 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 1/20 0.34
PTGS1 P23219 3/20 0.33
MME P08473 1/20 0.33
FABP2 P12104 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL4083061 1.00 CES2 (0.43) CES2CES1ANPEPTRPM8PTGS2
SCHEMBL4336456 0.83 MME (0.46) CES2CES1PTGS2MEN1KMT2A
SCHEMBL3624120 0.79 AAK1 (0.42) CES2CES1ANPEPLMNAHTT
SCHEMBL3624123 0.79 AAK1 (0.42) CES2CES1ANPEPLMNAHTT
SCHEMBL4089215 0.77 ALDH1A1 (0.45) KMT2ALMNAHTTMMEALDH1A1
SCHEMBL13380235 0.74 KEAP1 (0.50) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL1952124 0.74 KEAP1 (0.50) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL18766237 0.74 KEAP1 (0.50) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL16965686 0.74 KEAP1 (0.50) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL16054881 0.71 GAA (0.46) CES2CES1MEN1KMT2ALMNA

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
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 CES2 162/4885CES1 631/4885ANPEP 4057/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 CES2 20/4885CES1 66/4885ANPEP 2857/4885

“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.