SCHEMBL10328602

SCHEMBL10328602

CC(C)(C)OC(=O)/N=C1\N[C@](C)(c2cc([N+](=O)[O-])ccc2F)CS(=O)(=O)N1CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
BACE2 Q9Y5Z0 3/20 0.35
BACE1 P56817 3/20 0.35
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.30
MCHR1 Q99705 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
SCHEMBL15721345 1.00 DRD2 (0.37) DRD2BACE2BACE1ALDH1A1GAA
SCHEMBL15895222 0.90 BACE2 (0.36) DRD2BACE2BACE1ALDH1A1GAA
SCHEMBL10328606 0.90 BACE2 (0.36) DRD2BACE2BACE1ALDH1A1GAA
SCHEMBL18328782 0.89 BACE1 (0.33) BACE2BACE1
SCHEMBL15892958 0.88 BACE1 (0.40) BACE2BACE1
SCHEMBL16142941 0.88 BACE1 (0.40) BACE2BACE1
SCHEMBL15895250 0.86 BACE2 (0.38) DRD2BACE2BACE1ALDH1A1GAA
SCHEMBL10328600 0.86 BACE2 (0.38) DRD2BACE2BACE1ALDH1A1GAA
SCHEMBL10328608 0.84 BACE2 (0.36) BACE2BACE1ALDH1A1GAATHRB
SCHEMBL17453064 0.80 BACE2 (0.36) DRD2BACE2BACE1ALDH1A1GAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 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-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 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-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-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-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 (6 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 DRD2 1038/4885BACE2 3/4885BACE1 1/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP DRD2 1195/4885BACE2 2/4885BACE1 1/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP DRD2 1415/4885BACE2 2/4885BACE1 1/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP DRD2 1460/4885BACE2 2/4885BACE1 1/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP DRD2 1200/4885BACE2 2/4885BACE1 1/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 DRD2 1038/4885BACE2 3/4885BACE1 1/4885

“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.