SCHEMBL9932633

SCHEMBL9932633

O=C(O)NC1=NC2(CS1)c1cc(Br)ccc1O[C@H]1CC(O)CC[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.37
APP P05067 6/20 0.33
CTSD P07339 3/20 0.33
AKR1B1 P15121 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
SCHEMBL9932632 1.00 BACE1 (0.37) BACE1APPCTSDAKR1B1
SCHEMBL9931696 0.93 BACE1 (0.39) BACE1APPCTSDAKR1B1
SCHEMBL9931695 0.93 BACE1 (0.39) BACE1APPCTSDAKR1B1
SCHEMBL9932213 0.87 BACE1 (0.38) BACE1APPCTSD
SCHEMBL9931985 0.82 BACE1 (0.44) BACE1APPCTSD
SCHEMBL9931984 0.82 BACE1 (0.44) BACE1APPCTSD
SCHEMBL9932751 0.79 AKR1B1 (0.38) BACE1APPCTSDAKR1B1
SCHEMBL9932359 0.75 BACE1 (0.47) BACE1APPCTSD
SCHEMBL9932361 0.75 BACE1 (0.47) BACE1APPCTSD
SCHEMBL9931556 0.73 BACE1 (0.49) BACE1CTSD

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885APP 4/4885CTSD 224/4885

“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.