SCHEMBL17307828

SCHEMBL17307828

C=C1N[C@@]2(c3cc([N+](=O)[O-])ccc3F)COC[C@H]2S(=O)(=O)[C@]1(C)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.38
BACE2 Q9Y5Z0 11/20 0.38
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL17307755 0.90 BACE2 (0.40) BACE1BACE2ALDH1A1HIF1A
SCHEMBL17307748 0.90 BACE2 (0.40) BACE1BACE2ALDH1A1HIF1A
SCHEMBL17307754 0.90 BACE2 (0.40) BACE1BACE2ALDH1A1HIF1A
SCHEMBL17307822 0.89 BACE1 (0.38) BACE1BACE2ALDH1A1HIF1AL3MBTL1
SCHEMBL17307823 0.89 BACE1 (0.38) BACE1BACE2ALDH1A1HIF1AL3MBTL1
SCHEMBL17826421 0.85 BACE1 (0.47) BACE1BACE2
SCHEMBL17307825 0.83 BACE1 (0.41) BACE1BACE2
SCHEMBL17309155 0.80 BACE1 (0.34) BACE1BACE2ALDH1A1L3MBTL1HTT
SCHEMBL15431699 0.80 BACE2 (0.39) BACE1BACE2
SCHEMBL15431693 0.80 BACE2 (0.39) 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 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 BACE1 1/4885BACE2 2/4885ALDH1A1 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.