SCHEMBL9948333

SCHEMBL9948333

CC(C)(C)[S+]([O-])N=C1CC(C2CCCOC2)Oc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.42
APP P05067 5/20 0.42
PBRM1 Q86U86 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSD P07339 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
SCHEMBL9948332 1.00 BACE1 (0.42) BACE1APPPBRM1ALDH1A1LMNA
SCHEMBL9947920 0.81 BACE1 (0.44) BACE1APPPBRM1
SCHEMBL9947917 0.81 BACE1 (0.44) BACE1APPPBRM1
SCHEMBL1821897 0.79 BACE1 (0.43) BACE1APPPBRM1ALDH1A1LMNA
SCHEMBL1821899 0.79 BACE1 (0.43) BACE1APPPBRM1ALDH1A1LMNA
SCHEMBL18926396 0.77 BACE1 (0.40) BACE1APP
SCHEMBL16105864 0.75 PBRM1 (0.52) BACE1APPPBRM1MEN1KMT2A
SCHEMBL1824234 0.75 PBRM1 (0.52) BACE1APPPBRM1MEN1KMT2A
SCHEMBL7968965 0.75 PBRM1 (0.52) BACE1APPPBRM1MEN1KMT2A
SCHEMBL3124444 0.75 PBRM1 (0.52) BACE1APPPBRM1MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
EP-3176172-A1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS Astrazeneca AB (SE) 2017-06-07 EP disclosed
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2016-06-30 US disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US disclosed
US-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2015-05-14 US disclosed
US-8865911-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2014-10-21 US disclosed
EP-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO 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 (7 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-20150133471-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-20160184303-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885APP 3/4885PBRM1 1604/4885

“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.