SCHEMBL2108129

SCHEMBL2108129

CC(C)(C)N(C(=O)O)C1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)C[C@H](CF)OC[C@H]2CS1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.33
BACE2 Q9Y5Z0 4/20 0.33
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2108125 1.00 BACE1 (0.33) BACE1BACE2AKR1B1ALDH1A1GAA
SCHEMBL2108783 0.92 BACE1 (0.36) BACE1BACE2AKR1B1
SCHEMBL2108780 0.92 BACE1 (0.36) BACE1BACE2AKR1B1
SCHEMBL1935223 0.89 BACE1 (0.45) BACE1BACE2
SCHEMBL1935218 0.89 BACE1 (0.45) BACE1BACE2
SCHEMBL2108572 0.88 BACE1 (0.38) BACE1BACE2
SCHEMBL2116357 0.86 BACE1 (0.41) BACE1BACE2AKR1B1ALDH1A1GAA
SCHEMBL2116359 0.86 BACE1 (0.41) BACE1BACE2AKR1B1ALDH1A1GAA
SCHEMBL2108476 0.86 BACE1 (0.41) BACE1BACE2AKR1B1ALDH1A1GAA
SCHEMBL2110456 0.86 BACE1 (0.44) 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 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 3/4885AKR1B1 1026/4885

“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.