SCHEMBL3652166

SCHEMBL3652166

CC(C)(C)OC(=O)N[C@H]1CSC[C@@H](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 2/20 0.33
CTSD P07339 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CTSK P43235 1/20 0.32
KDM1A O60341 1/20 0.31
NPY5R Q15761 3/20 0.31
NR1D1 P20393 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GSTP1 P09211 1/20 0.30
GSTM2 P28161 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
SCHEMBL3217314 1.00 DRD2 (0.34) DRD2ATMTDP1BACE1CTSD
SCHEMBL3650137 1.00 DRD2 (0.34) DRD2ATMTDP1BACE1CTSD
SCHEMBL3653801 0.89 DRD2 (0.34) DRD2BACE1CTSDMAOAMAOB
SCHEMBL311003 0.88 DRD2 (0.34) DRD2BACE1CTSDMAOAMAOB
SCHEMBL4255053 0.85 CTSD (0.32) DRD2BACE1CTSDMAOAMAOB
SCHEMBL3646307 0.81 DRD2 (0.31) DRD2
SCHEMBL3222449 0.81 DRD2 (0.34) DRD2ATMTDP1CTSKNR1D1
SCHEMBL310719 0.80 CTSD (0.39) DRD2BACE1CTSD
SCHEMBL310161 0.80 CTSD (0.42) BACE1CTSD
SCHEMBL309772 0.79 CTSD (0.40) 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 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 DRD2 3850/4885ATM 3452/4885TDP1 1688/4885

“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.