SCHEMBL13466601

SCHEMBL13466601

CC1(C)C(=N)N[C@](C)(c2sc(-c3cccc(OC(F)(F)F)c3)cc2Cl)CS1(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.63
BACE2 Q9Y5Z0 2/20 0.39

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
SCHEMBL13466841 0.90 BACE1 (0.64) BACE1BACE2
SCHEMBL18567803 0.90 BACE1 (0.52) BACE1
SCHEMBL13466603 0.85 BACE1 (0.61) BACE1BACE2
SCHEMBL10329044 0.84 BACE1 (0.56) BACE1BACE2
SCHEMBL18567390 0.80 BACE1 (0.49) BACE1BACE2
SCHEMBL15693484 0.80 BACE1 (0.65) BACE1BACE2
SCHEMBL13466832 0.79 BACE1 (0.55) BACE1BACE2
SCHEMBL15694786 0.79 BACE1 (0.62) BACE1BACE2
SCHEMBL13466604 0.79 BACE1 (0.57) BACE1BACE2
SCHEMBL13466842 0.79 BACE1 (0.65) BACE1BACE2

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 1/4885BACE2 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.