SCHEMBL310719

SCHEMBL310719

CC(C)(C)OC(=O)N[C@H]1CSC[C@@H](Cc2cc(F)c([N+](=O)[O-])c(OCC(F)(F)F)c2)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.39
BACE1 P56817 6/20 0.39
CYP3A4 P08684 2/20 0.39
CNR2 P34972 2/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL311003 0.90 DRD2 (0.34) CTSDBACE1CYP3A4DRD2
SCHEMBL310161 0.88 CTSD (0.42) CTSDBACE1CYP3A4
SCHEMBL309772 0.87 CTSD (0.40) CTSDBACE1CYP3A4
SCHEMBL3653594 0.87 CTSD (0.38) CTSDBACE1CYP3A4CNR2
SCHEMBL3653039 0.87 CTSD (0.38) CTSDBACE1CYP3A4CNR2
SCHEMBL309208 0.84 BACE1 (0.42) CTSDBACE1CYP3A4
SCHEMBL3646307 0.83 DRD2 (0.31) DRD2
SCHEMBL3650137 0.80 DRD2 (0.34) CTSDBACE1DRD2
SCHEMBL3652166 0.80 DRD2 (0.34) CTSDBACE1DRD2
SCHEMBL3217314 0.80 DRD2 (0.34) CTSDBACE1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO 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 (2 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 CTSD 38/4885BACE1 2/4885CYP3A4 978/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP CTSD 33/4885BACE1 2/4885CYP3A4 816/4885

“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.