SCHEMBL5928554

SCHEMBL5928554

NC(=O)c1c(CNC[C@@H](O)[C@H](Cc2ccccc2)OC=O)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.38
BCHE P06276 4/20 0.38
PPARG P37231 6/20 0.38
EPHX2 P34913 5/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSD P07339 1/20 0.37
TXNRD1 Q16881 1/20 0.36
MAOB P27338 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL5720767 0.79 TXNRD1 (0.39) BACE1BCHEPPARGEPHX2KDM4E
SCHEMBL3351983 0.71 EPHX2 (0.44) BACE1BCHEPPARGEPHX2KDM4E
SCHEMBL6889938 0.71 EPHX2 (0.44) BACE1BCHEPPARGEPHX2KDM4E
SCHEMBL5444963 0.70 BACE1 (0.53) BACE1BCHEPPARGEPHX2CTSD
SCHEMBL5444966 0.70 BACE1 (0.53) BACE1BCHEPPARGEPHX2CTSD
SCHEMBL1938155 0.69 BACE1 (0.60) BACE1BCHECTSD
SCHEMBL1938153 0.69 BACE1 (0.60) BACE1BCHECTSD
SCHEMBL8580373 0.67 BCHE (0.52) BACE1BCHE
SCHEMBL24517077 0.64 MAOB (0.46) KDM4EALDH1A1TDP1MAOB
SCHEMBL5549274 0.64 MAOB (0.46) KDM4EALDH1A1TXNRD1MAOB

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-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 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-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 BACE1 2/4885BCHE 24/4885PPARG 4627/4885

“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.