SCHEMBL10329334

SCHEMBL10329334

CN1C(=N)N[C@](C)(c2scc(-c3ccc(F)c(C#N)c3)c2Cl)CS1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.47
BACE2 Q9Y5Z0 14/20 0.47
PGR P06401 3/20 0.35
AR P10275 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
SCHEMBL10329032 0.84 BACE1 (0.55) BACE1BACE2
SCHEMBL7554707 0.83 BACE1 (0.36) BACE1BACE2PGRAR
SCHEMBL10329025 0.82 BACE1 (0.63) BACE1BACE2PGRAR
SCHEMBL10329921 0.80 BACE1 (0.47) BACE1BACE2PGR
SCHEMBL10329046 0.80 BACE1 (0.46) BACE1BACE2PGRAR
SCHEMBL10329035 0.75 BACE1 (0.49) BACE1BACE2PGRAR
SCHEMBL7552846 0.74 PLA2G7 (0.38) BACE1BACE2PGRAR
SCHEMBL7558429 0.73 BACE1 (0.37) BACE1BACE2PGRAR
SCHEMBL7569515 0.73 BACE1 (0.36) BACE1BACE2PGRAR
SCHEMBL13558908 0.73 BACE1 (0.36) BACE1BACE2PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 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-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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 (3 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885PGR 2005/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885PGR 2244/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885PGR 2276/4885

“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.