SCHEMBL3653709

SCHEMBL3653709

CC(C)(C)c1cccc(CN[C@H]2CSC[C@@H](Cc3ccc([N+](=O)[O-])c(F)c3)C2O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55
CTSD P07339 19/20 0.55
CYP3A4 P08684 2/20 0.48

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
SCHEMBL3649307 0.90 BACE1 (0.57) BACE1CTSD
SCHEMBL310254 0.80 BACE1 (0.50) BACE1CTSDCYP3A4
SCHEMBL310010 0.79 BACE1 (0.63) BACE1CTSDCYP3A4
SCHEMBL1560609 0.79 BACE1 (0.63) BACE1CTSDCYP3A4
SCHEMBL3652166 0.78 DRD2 (0.34) BACE1CTSD
SCHEMBL3650137 0.78 DRD2 (0.34) BACE1CTSD
SCHEMBL3217314 0.78 DRD2 (0.34) BACE1CTSD
SCHEMBL3649053 0.78 BACE1 (0.37) BACE1CTSDCYP3A4
SCHEMBL3650547 0.75 BACE1 (0.53) BACE1CTSDCYP3A4
Fumaric Acid SCHEMBL3709818 0.74 BACE1 (0.66) BACE1CTSDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP BACE1 2/4885CTSD 38/4885CYP3A4 978/4885

“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.