SCHEMBL2108398

SCHEMBL2108398

C[C@H]1OC[C@]2(c3cc([N+](=O)[O-])ccc3F)N=C(N(C(=O)O)C(C)(C)C)SC[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.44
BACE2 Q9Y5Z0 14/20 0.37
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL2108397 1.00 BACE1 (0.44) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2108400 1.00 BACE1 (0.44) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL15710000 0.92 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL15709998 0.92 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL2106743 0.90 BACE1 (0.35) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2106740 0.90 BACE1 (0.35) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2106744 0.90 BACE1 (0.35) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2106834 0.90 BACE1 (0.40) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2106832 0.90 BACE1 (0.40) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2111097 0.90 BACE1 (0.40) 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 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 BACE1 1/4885BACE2 3/4885ALDH1A1 3053/4885

“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.