SCHEMBL2632317

SCHEMBL2632317

CC(C)(C)OC(=O)NC1=NC2(c3cc([N+](=O)[O-])ccc3F)COC(CF)C2CS1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.38
BACE2 Q9Y5Z0 9/20 0.38
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
GNRHR P30968 1/20 0.34
POLB P06746 1/20 0.33
SIRT2 Q8IXJ6 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
SCHEMBL2619888 1.00 BACE1 (0.38) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2619882 0.95 ALDH1A1 (0.38) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2619976 0.93 DRD2 (0.34) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL15171753 0.92 BACE1 (0.36) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2619906 0.92 BACE1 (0.36) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2631631 0.92 BACE1 (0.36) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL10288946 0.90 BACE1 (0.45) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL2632338 0.90 BACE1 (0.45) BACE1BACE2ALDH1A1GAATHRB
SCHEMBL11938704 0.88 BACE1 (0.43) BACE1BACE2SIRT2
SCHEMBL4370062 0.88 BACE1 (0.40) BACE1BACE2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO 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 (3 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885ALDH1A1 3053/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885ALDH1A1 3053/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885ALDH1A1 2468/4885

“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.