SCHEMBL2926751

SCHEMBL2926751

COC[C@H]1C[C@]2(c3cc([N+](=O)[O-])ccc3F)N=C(NC(=O)O)SC[C@@H]2CO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.38
BACE2 Q9Y5Z0 5/20 0.36
AKR1B1 P15121 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL2926754 1.00 BACE1 (0.38) BACE1BACE2AKR1B1MAPTKMT2A
SCHEMBL2971858 0.90 BACE1 (0.35) BACE1BACE2AKR1B1MAPTKMT2A
SCHEMBL2971852 0.90 BACE1 (0.35) BACE1BACE2AKR1B1MAPTKMT2A
SCHEMBL2619867 0.90 DRD2 (0.36) BACE1BACE2MAPTKMT2AKCNH2
SCHEMBL2931011 0.88 BACE1 (0.43) BACE1BACE2KCNH2
SCHEMBL2929812 0.86 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL2619871 0.85 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL2976161 0.83 BACE1 (0.37) BACE1BACE2MAPTKMT2ALMNA
SCHEMBL2976155 0.83 BACE1 (0.37) BACE1BACE2MAPTKMT2ALMNA
SCHEMBL2108783 0.83 BACE1 (0.36) BACE1BACE2AKR1B1

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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP 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 BACE1 1/4885BACE2 3/4885AKR1B1 1026/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885AKR1B1 1026/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885AKR1B1 1273/4885

“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.