Sugi Predict

Sugi Predict / Compounds / SCHEMBL10328600

SCHEMBL10328600

SCHEMBL10328600

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE2 Q9Y5Z0 6/20 0.38
▸ BACE1 P56817 6/20 0.38
▸ CTSD P07339 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ WDR5 P61964 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL15895250 1.00 BACE2 (0.38) BACE2BACE1CTSDALDH1A1WDR5
SCHEMBL10328608 0.94 BACE2 (0.36) BACE2BACE1CTSDALDH1A1WDR5
SCHEMBL19221126 0.90 BACE2 (0.39) BACE2BACE1CTSDALDH1A1WDR5
SCHEMBL15721330 0.90 BACE1 (0.34) BACE2BACE1ALDH1A1WDR5MAPT
SCHEMBL10328586 0.90 BACE1 (0.34) BACE2BACE1ALDH1A1WDR5MAPT
SCHEMBL10328649 0.90 BACE1 (0.32) BACE2BACE1CTSD
SCHEMBL15895249 0.90 BACE1 (0.32) BACE2BACE1CTSD
SCHEMBL10328606 0.89 BACE2 (0.36) BACE2BACE1ALDH1A1MAPTLMNA
SCHEMBL15895222 0.89 BACE2 (0.36) BACE2BACE1ALDH1A1MAPTLMNA
SCHEMBL15895223 0.89 BACE1 (0.33) BACE2BACE1CTSD

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 24 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-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-20170246300-A1 C5-C6-FUSED TRICYCLIC IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-31 — — US disclosed
US-20170246300-A1 C5-C6-FUSED TRICYCLIC IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-08-31 — — 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-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 — — US disclosed
US-20150353516-A1 IMINOTHIADIAZINE DIOXIDES CONTAINING A THIOAMIDE, AMIDINE, OR AMIDE OXIME GROUP AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2015-12-10 — — US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — US disclosed
US-9029362-B2 Iminothiadiazine dioxide compounds as brace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-05-12 — — 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-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-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-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 (12 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-20150353516-A1 IMINOTHIADIAZINE DIOXIDES CONTAINING A THIOAMIDE, AMIDINE, OR AMIDE OXIME GROUP AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885CTSD 672/4885
US-20140296221-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE2 3/4885BACE1 1/4885CTSD 549/4885
US-20170246300-A1 C5-C6-FUSED TRICYCLIC IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 310/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 779/4885
US-20170233383-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 26/4885
US-10017505-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885CTSD 28/4885
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 1437/4885
US-10035796-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885CTSD 29/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 721/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885CTSD 665/4885
US-20170226098-A1 NOVEL CRYSTALLINE FORMS OF A BACE INHIBITOR, COMPOSITIONS, AND THEIR USE BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885CTSD 24/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE2 3/4885BACE1 1/4885CTSD 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.