SCHEMBL2619932

SCHEMBL2619932

CCO[C@H]1C[C@H]2CSC(NC(=O)OC(C)(C)C)=N[C@@]2(c2cc([N+](=O)[O-])ccc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
GNRHR P30968 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
POLB P06746 1/20 0.32
BACE1 P56817 5/20 0.32
KCNH2 Q12809 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.31
MAPT P10636 2/20 0.31
ALOX5 P09917 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSD P07339 1/20 0.31
BCL2 P10415 1/20 0.31
BECN1 Q14457 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
SCHEMBL2619925 1.00 ALDH1A1 (0.36) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL8031672 0.92 GNRHR (0.35) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2619845 0.92 GNRHR (0.35) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2619849 0.92 GNRHR (0.35) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2620042 0.90 DRD2 (0.36) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2620033 0.90 DRD2 (0.36) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2622815 0.90 SIRT2 (0.36) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2622819 0.90 SIRT2 (0.36) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2619945 0.89 SIRT2 (0.35) ALDH1A1GAATHRBHTTL3MBTL1
SCHEMBL2619953 0.89 SIRT2 (0.35) ALDH1A1GAATHRBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 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

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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 ALDH1A1 3053/4885GAA 1183/4885THRB 1884/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 ALDH1A1 3053/4885GAA 1183/4885THRB 1884/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 ALDH1A1 2468/4885GAA 826/4885THRB 2700/4885

“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.