SCHEMBL11025847

SCHEMBL11025847

C=C[C@H](OCC(=O)O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL11027378 1.00 TSHR (0.31) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL11302632 0.78 APLNR (0.32)
SCHEMBL11025555 0.77 APLNR (0.34)
SCHEMBL6917557 0.77 APLNR (0.34)
SCHEMBL991129 0.74 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL2524435 0.72 TSHR (0.36) TSHRSMN1; SMN2CTHCBSTHPO
SCHEMBL8057241 0.72 TSHR (0.37) TSHRSLC6A2SLC6A4BLMSLC6A3
SCHEMBL11955065 0.70
SCHEMBL989877 0.70 PTPN1 (0.41) MEN1KMT2A
SCHEMBL175334 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 US disclosed
US-8940734-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-27 US disclosed
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-05-22 US disclosed
US-8592408-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-26 US disclosed
EP-2653473-A1 Fused Aminodihydro-Oxazine Derivatives Eisai R&D Management Co., Ltd. (JP) 2013-10-23 EP disclosed
EP-2456774-B1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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 (5 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 TSHR 4541/4885SLC6A2 886/4885SLC6A4 1946/4885
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES BACE1, APP, BACE2 TSHR 3250/4885SLC6A2 496/4885SLC6A4 1515/4885
US-20140142091-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 TSHR 4541/4885SLC6A2 886/4885SLC6A4 1946/4885
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 TSHR 4541/4885SLC6A2 886/4885SLC6A4 1946/4885
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 TSHR 3242/4885SLC6A2 774/4885SLC6A4 1290/4885

“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.