SCHEMBL1933735

SCHEMBL1933735

COC[C@H]1C[C@H]2CSC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)=N[C@@]2(c2cc(-c3cccnc3F)ccc2F)CO1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.48
BACE2 Q9Y5Z0 6/20 0.43
CTSD P07339 1/20 0.35

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
SCHEMBL13391488 1.00 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL7914943 1.00 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL3300948 0.91 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL1934136 0.90 BACE1 (0.48) BACE1BACE2
SCHEMBL1934847 0.85 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL7927883 0.85 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL2342407 0.85 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL7924503 0.83 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL1934572 0.82 BACE1 (0.46) BACE1BACE2
SCHEMBL1934144 0.81 BACE1 (0.46) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 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 (2 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 595/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CTSD 1910/4885

“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.