SCHEMBL13041227

SCHEMBL13041227

O=C([C@@H]1CNC[C@H]1c1ccccc1-c1ccc(S(=O)(=O)C2CCCC2)nc1)N1CCOC[C@@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.69
MAPK1 P28482 2/20 0.37
SCD5 Q86SK9 1/20 0.36
USP19 O94966 6/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC1 Q13547 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3729060 0.84 BACE1 (0.73) BACE1MAPK1SCD5USP19ALOX5AP
SCHEMBL3739326 0.84 BACE1 (0.72) BACE1MAPK1SCD5USP19ALOX5AP
SCHEMBL3736070 0.83 BACE1 (0.81) BACE1MAPK1SCD5USP19TMEM97
SCHEMBL3739470 0.82 BACE1 (0.70) BACE1MAPK1HDAC6HDAC8HDAC1
SCHEMBL4230395 0.82 BACE1 (0.79) BACE1MAPK1SCD5USP19ALOX5AP
SCHEMBL3736938 0.82 BACE1 (0.79) BACE1MAPK1SCD5USP19ALOX5AP
SCHEMBL3734063 0.82 BACE1 (0.79) BACE1MAPK1SCD5USP19ALOX5AP
SCHEMBL3737164 0.81 BACE1 (1.00) BACE1MAPK1SCD5
SCHEMBL3737168 0.81 BACE1 (1.00) BACE1MAPK1SCD5
SCHEMBL15988501 0.81 BACE1 (0.78) BACE1MAPK1SCD5USP19HDAC6

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-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-11-04 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-20100280009-A1 3,4-SUBSTITUTED PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 BACE1 1/4885MAPK1 3490/4885SCD5 685/4885

“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.