SCHEMBL4453243

SCHEMBL4453243

NC(=O)CC(C(N)=O)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
DCAF1 Q9Y4B6 1/20 0.41
CNR2 P34972 2/20 0.41
EPHX1 P07099 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KCNN4 O15554 2/20 0.38
ROCK2 O75116 1/20 0.37
EEF2K O00418 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KCNQ2 O43526 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL11078265 0.83 GAA (0.43) GAACES2CES1DCAF1CNR2
SCHEMBL3364493 0.82 KCNQ2 (0.48) GAACES2CES1CNR2EPHX1
SCHEMBL2832020 0.82 GAA (0.45) GAACES2CES1CNR2EPHX1
SCHEMBL10506034 0.81 GAA (0.47) GAACES2CES1ITGB2ICAM1
SCHEMBL27504078 0.80 GAA (0.46) GAACES2CES1ITGB2ICAM1
SCHEMBL4757419 0.79 TAS1R3 (0.43) GAACES2CES1CNR2EPHX1
SCHEMBL1568339 0.79 EPHX1 (0.62) GAACNR2EPHX1IDO1TDO2
SCHEMBL2832022 0.79 GAA (0.45) GAACES2CES1ITGB2ICAM1
SCHEMBL30699900 0.77 AURKA (0.37) ITGB2ICAM1ITGAL
SCHEMBL4245530 0.77 GAA (0.53) GAACES2CES1CNR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 GAA 482/4885CES2 3463/4885CES1 2519/4885

“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.