SCHEMBL15908804

SCHEMBL15908804

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)CS(=O)(=O)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.52
BACE2 Q9Y5Z0 7/20 0.52
CTSD P07339 2/20 0.42

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
SCHEMBL15908799 1.00 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL15900380 0.86 BACE1 (0.58) BACE1BACE2
SCHEMBL15900385 0.86 BACE1 (0.58) BACE1BACE2
SCHEMBL16479732 0.85 BACE1 (0.59) BACE1BACE2
SCHEMBL16462497 0.85 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL16462138 0.85 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL362269 0.83 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL15900410 0.81 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL15900408 0.81 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4082830 0.79 BACE1 (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309263-B2 Fused multi-cyclic sulfone compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2016-04-12 US disclosed
US-9309263-B2 Fused multi-cyclic sulfone compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2016-04-12 US disclosed
WO-2014120658-A1 FUSED MULTICYCLIC 3-AMINO-5,6-DIHYDRO-2H-1,4-THIAZINE DERIVATIVES AND THEIR USE AS BETA-SECRETASE INHIBITORS AMGEN INC. (US) 2014-08-07 WO disclosed
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2014-07-31 US disclosed
US-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2014-07-31 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 (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-20140213581-A1 FUSED MULTI-CYCLIC SULFONE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 278/4885

“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.