SCHEMBL993538

SCHEMBL993538

C=C[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
TK1 P04183 3/20 0.39
CTSK P43235 3/20 0.38
DUT P33316 2/20 0.36
TSHR P16473 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
HSP90AA1 P07900 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
LMNA P02545 1/20 0.32
MMP13 P45452 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 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
SCHEMBL2111430 1.00 KIF11 (0.43) KIF11TK1CTSKDUTTSHR
SCHEMBL8502919 0.79 TK1 (0.42) KIF11TK1CTSKDUTTSHR
SCHEMBL7514211 0.79 TK1 (0.42) KIF11TK1CTSKDUTTSHR
SCHEMBL16281907 0.79 KIF11 (0.50) KIF11TK1CTSKDUTTSHR
SCHEMBL2111572 0.79 KIF11 (0.50) KIF11TK1CTSKDUTTSHR
SCHEMBL10772460 0.79 TK1 (0.54) KIF11TK1CTSKDUTTSHR
SCHEMBL18190743 0.79 KIF11 (0.43) KIF11TK1CTSKDUTTSHR
SCHEMBL27859924 0.76 CA1 (0.45) KIF11TK1CTSKDUTTSHR
SCHEMBL24587233 0.76 TK1 (0.48) KIF11TK1CTSKDUTTSHR
SCHEMBL6516985 0.76 TK1 (0.48) KIF11TK1CTSKDUTTSHR

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 US disclosed
EP-3288949-B1 TETRAHYDROFURANE-FUSED AMINOHYDROTHIAZINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2019-11-06 EP disclosed
EP-3262051-B1 SELECTIVE BACE1 INHIBITORS LILLY CO ELI (US) 2019-10-02 EP disclosed
EP-3262051-B1 SELECTIVE BACE1 INHIBITORS LILLY CO ELI (US) 2019-10-02 EP disclosed
EP-3528844-A1 COMBINATION THERAPY Eli Lilly and Company (US) 2019-08-28 EP disclosed
US-20190231791-A1 Combination Therapy LILLY CO ELI (US) 2019-08-01 US disclosed
US-20190231791-A1 Combination Therapy LILLY CO ELI (US) 2019-08-01 US disclosed
EP-3500296-A1 COMBINATION THERAPY OF BACE-1 INHIBITOR AND ANTI-N3PGLU ABETA ANTIBODY Eli Lilly and Company (US) 2019-06-26 EP disclosed
US-20190106434-A1 N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE LILLY CO ELI (US) 2019-04-11 US disclosed
US-20190106434-A1 N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE LILLY CO ELI (US) 2019-04-11 US disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 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
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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-20190106434-A1 N-[3-[2-AMINO-5-(1,1-DIFLUOROETHYL)-4,4A,5,7-TETRAHYDROFURO[3,4-D][1,3]OXAZIN-7A-YL]-4-FLUORO-PHENYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE AND ITS (4AR,5S,7AS) ISOMER AS A SELECTIVE BACE1 INHIBITOR FOR TREATING E.G. ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 KIF11 2534/4885TK1 1471/4885CTSK 1085/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 KIF11 3550/4885TK1 3547/4885CTSK 1173/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 KIF11 3580/4885TK1 3221/4885CTSK 975/4885
US-20190231791-A1 Combination Therapy PSEN2, PSEN1, FCGRT KIF11 3229/4885TK1 4304/4885CTSK 4512/4885
US-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS BACE1, APP, PSEN1 KIF11 4304/4885TK1 844/4885CTSK 416/4885

“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.