SCHEMBL13467261

SCHEMBL13467261

CC1(C)C(=N)N[C@](C)(c2nc(Br)ccc2F)CS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.39
CTSD P07339 2/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL13466086 1.00 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL18567441 0.88 BACE1 (0.40) BACE1
SCHEMBL15693452 0.85 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL13467260 0.85 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL17325980 0.84 BACE1 (0.35) BACE1CTSDBACE2
SCHEMBL17326070 0.84 BACE1 (0.35) BACE1CTSDBACE2
SCHEMBL23333905 0.81 BACE1 (0.30) BACE1
SCHEMBL10328575 0.79 BACE1 (0.32) BACE1BACE2
SCHEMBL13466806 0.78 BACE1 (0.65) BACE1BACE2
SCHEMBL18567433 0.77 BACE1 (0.49) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 US disclosed
WO-2012139425-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE SCHERING CORPORATION (US) 2012-10-18 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 (1 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-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 648/4885BACE2 2/4885

“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.