SCHEMBL17307754

SCHEMBL17307754

C=C1NC2(c3cc([N+](=O)[O-])ccc3F)COCC2S(=O)(=O)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 18/20 0.40
BACE1 P56817 18/20 0.40
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 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
SCHEMBL17307748 1.00 BACE2 (0.40) BACE2BACE1ALDH1A1HIF1A
SCHEMBL17307755 1.00 BACE2 (0.40) BACE2BACE1ALDH1A1HIF1A
SCHEMBL17307828 0.90 BACE1 (0.38) BACE2BACE1ALDH1A1HIF1A
SCHEMBL17307752 0.84 BACE1 (0.41) BACE2BACE1
SCHEMBL15431699 0.83 BACE2 (0.39) BACE2BACE1
SCHEMBL15431693 0.83 BACE2 (0.39) BACE2BACE1
SCHEMBL15431697 0.83 BACE2 (0.39) BACE2BACE1
SCHEMBL17307823 0.82 BACE1 (0.38) BACE2BACE1ALDH1A1HIF1A
SCHEMBL17307822 0.82 BACE1 (0.38) BACE2BACE1ALDH1A1HIF1A
SCHEMBL17307751 0.82 BACE1 (0.43) BACE2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365589-B2 C5, C6 oxacyclic-fused thiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-20150344500-A1 C2,C6 OXACYCLIC-FUSED THIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-12-03 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-20150344500-A1 C2,C6 OXACYCLIC-FUSED THIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP BACE2 2/4885BACE1 1/4885ALDH1A1 400/4885

“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.