SCHEMBL568601

SCHEMBL568601

C/C(=N\[S@+]([O-])C(C)(C)C)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR3 P46089 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
AGTR1 P30556 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL17007007 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL17007011 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL18097129 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL17007008 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL15704698 1.00 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL15991577 0.87 HPGD (0.43) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL15991574 0.87 HPGD (0.43) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL15991575 0.87 HPGD (0.43) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL13466799 0.87 HPGD (0.43) SMN1; SMN2NPC1RAB9AGPR3CES2
SCHEMBL15991579 0.87 HPGD (0.43) SMN1; SMN2NPC1RAB9AGPR3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034687-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
US-20200308166-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2020-10-01 US disclosed
EP-3271355-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-29 EP disclosed
US-10723729-B2 BACE1 inhibitors Hoffmann-Le Roche Inc. (US) 2020-07-28 US disclosed
EP-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
US-20190337936-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-11-07 US disclosed
US-10399969-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3218362-B1 2-AMINO-3,5-DIFLUORO-3,6-DIMETHYL-6-PHENYL-3,4,5,6-TETRAHYDROPYRIDINES AS BACE1 INHIBITORS FOR TREATING ALZHEIMER'S DISEASE H LUNDBECK AS (DK) 2019-01-09 EP disclosed
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
US-20180319787-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2018-11-08 US disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US disclosed
WO-2012126791-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 US disclosed
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 US disclosed
US-20120225858-A1 1,4 THIAZEPINES/SULFONES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 US disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 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 (13 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-20190337936-A1 BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-10399969-B2 BACE1 inhibitors BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-20180319787-A1 BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES BACE1, BACE2, APP SMN1; SMN2 264/4885NPC1 2247/4885RAB9A 1617/4885
US-20200308166-A1 BACE1 INHIBITORS BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 SMN1; SMN2 585/4885NPC1 266/4885RAB9A 3932/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 SMN1; SMN2 424/4885NPC1 712/4885RAB9A 3809/4885
US-10723729-B2 BACE1 inhibitors BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-20120225858-A1 1,4 THIAZEPINES/SULFONES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 SMN1; SMN2 668/4885NPC1 310/4885RAB9A 3463/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 SMN1; SMN2 512/4885NPC1 138/4885RAB9A 545/4885
US-11034687-B2 BACE1 inhibitors BACE1, BACE2, APP SMN1; SMN2 936/4885NPC1 62/4885RAB9A 1581/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 SMN1; SMN2 839/4885NPC1 265/4885RAB9A 3868/4885
US-20120238548-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 SMN1; SMN2 967/4885NPC1 598/4885RAB9A 4097/4885

“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.