SCHEMBL2108539

SCHEMBL2108539

COC1CCC2(c3cc([N+](=O)[O-])ccc3F)N=C(N(C(=O)O)C(C)(C)C)SCC12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 2/20 0.34
BACE1 P56817 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 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
SCHEMBL2108544 1.00 BACE2 (0.34) BACE2BACE1L3MBTL1ALDH1A1GAA
SCHEMBL2108785 1.00 BACE2 (0.34) BACE2BACE1L3MBTL1ALDH1A1GAA
SCHEMBL2108787 1.00 BACE2 (0.34) BACE2BACE1L3MBTL1ALDH1A1GAA
SCHEMBL2108542 1.00 BACE2 (0.34) BACE2BACE1L3MBTL1ALDH1A1GAA
SCHEMBL2108629 0.86 BACE1 (0.33) BACE2BACE1
SCHEMBL2106819 0.86 BACE1 (0.33) BACE2BACE1
SCHEMBL2106817 0.86 BACE1 (0.33) BACE2BACE1
SCHEMBL2108561 0.86 BACE2 (0.33) BACE2BACE1
SCHEMBL2108779 0.86 BACE2 (0.33) BACE2BACE1
SCHEMBL2108777 0.86 BACE2 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE2 3/4885BACE1 1/4885L3MBTL1 242/4885

“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.