SCHEMBL10328657

SCHEMBL10328657

CN1/C(=N/C(=O)OC(C)(C)C)N[C@](C)(c2cc(N)ccc2F)CS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.39
BACE2 Q9Y5Z0 15/20 0.37
CTSD P07339 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10329900 1.00 BACE1 (0.39) BACE1BACE2CTSDKCNH2
SCHEMBL10328661 0.94 BACE1 (0.37) BACE1BACE2CTSD
SCHEMBL12721166 0.90 BACE1 (0.41) BACE1BACE2CTSDKCNH2
SCHEMBL10328580 0.90 BACE1 (0.41) BACE1BACE2CTSDKCNH2
SCHEMBL19221106 0.90 BACE1 (0.38) BACE1BACE2CTSDKCNH2
SCHEMBL12721542 0.90 NR1H2 (0.33) BACE1BACE2CTSD
SCHEMBL10328667 0.90 NR1H2 (0.33) BACE1BACE2CTSD
SCHEMBL16141271 0.90 BACE2 (0.37) BACE1BACE2CTSDKCNH2
SCHEMBL10328591 0.89 BACE1 (0.37) BACE1BACE2CTSDKCNH2
SCHEMBL10328683 0.89 BACE1 (0.34) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035796-B2 Crystalline forms of a BACE inhibitor, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-10035796-B2 Crystalline forms of a BACE inhibitor, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2018-07-31 US disclosed
US-10017505-B2 Crystalline forms of a BACE inhibitor, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017505-B2 Crystalline forms of a BACE inhibitor, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20170233383-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
US-20170233383-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
US-20170226098-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-10 US disclosed
US-20170226098-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-10 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-8940748-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-01-27 US disclosed
US-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 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 (9 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-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 549/4885
US-20170233383-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 26/4885
US-10017505-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 28/4885
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 1437/4885
US-10035796-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 29/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 721/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 665/4885
US-20170226098-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885CTSD 24/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 549/4885

“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.