Sugi Predict

Sugi Predict / Compounds / SCHEMBL10328607

SCHEMBL10328607

SCHEMBL10328607

CN1C(=N)N[C@](C)(c2cc([N+](=O)[O-])ccc2F)CS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE2 Q9Y5Z0 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ AKR1B1 P15121 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL29554687 1.00 BACE2 (0.43) BACE2BACE1AKR1B1ALDH1A1HIF1A
SCHEMBL17652908 1.00 BACE2 (0.43) BACE2BACE1AKR1B1ALDH1A1HIF1A
SCHEMBL17453057 0.88 BACE1 (0.41) BACE2BACE1AKR1B1ALDH1A1HIF1A
SCHEMBL19221039 0.88 BACE1 (0.44) BACE2BACE1AKR1B1ALDH1A1HIF1A
SCHEMBL17323433 0.86 BACE2 (0.32) BACE2BACE1AKR1B1PGR
SCHEMBL10328569 0.86 BACE1 (0.40) BACE2BACE1AKR1B1ALDH1A1HRH4
SCHEMBL13413 0.84 BACE1 (0.38) BACE2BACE1AKR1B1
SCHEMBL17453063 0.84 BACE2 (0.39) BACE2BACE1AKR1B1ALDH1A1HIF1A
SCHEMBL10328559 0.84 PGR (0.39) AKR1B1ALDH1A1HIF1ACYP2C9CYP2C19
SCHEMBL12721204 0.82 BACE1 (0.45) BACE2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467611-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2022-09-27 — — CN disclosed
CN-109180669-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2022-05-27 — — CN disclosed
CN-108997328-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2021-06-08 — — CN disclosed
CN-108863983-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2020-01-21 — — CN 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-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-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-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-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-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 (8 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 BACE2 3/4885BACE1 1/4885AKR1B1 1198/4885
US-20170246300-A1 C5-C6-FUSED TRICYCLIC IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885AKR1B1 427/4885
US-10017505-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885AKR1B1 1656/4885
US-20170369484-A1 IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885AKR1B1 149/4885
US-10035796-B2 Crystalline forms of a BACE inhibitor, compositions, and their use BACE2, BACE1, APP BACE2 1/4885BACE1 2/4885AKR1B1 1610/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885AKR1B1 1102/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885AKR1B1 1028/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 BACE2 3/4885BACE1 1/4885AKR1B1 1198/4885

“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.