SCHEMBL3346582

SCHEMBL3346582

CC(C)C[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)NCCS[C@@H]1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HLA-DRB1 P01911 1/20 0.34
BACE1 P56817 1/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CAPN1 P07384 1/20 0.33
MMP8 P22894 1/20 0.33
CTSF Q9UBX1 1/20 0.33

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
SCHEMBL3344917 0.91 PSEN1 (0.47) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3346942 0.90 PSEN1 (0.40) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3342525 0.90 BACE1 (0.37) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3342857 0.82 HSD17B10 (0.38) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL14260862 0.79 PSEN1 (0.49) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3342676 0.79 PSEN1 (0.49) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3343411 0.78 PSEN1 (0.41) MAP2K1PSEN1PSEN2APH1BNCSTN
SCHEMBL3345217 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6253940 0.76 MAP2K1 (0.47) MAP2K1ALDH1A1HTTHSD17B10TDP1
SCHEMBL3343365 0.72 TP53 (0.41) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP claimed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP claimed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B MAP2K1 4742/4885PSEN1 6/4885PSEN2 8/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 MAP2K1 4550/4885PSEN1 3/4885PSEN2 4/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MAP2K1 4713/4885PSEN1 6/4885PSEN2 8/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MAP2K1 2423/4885PSEN1 157/4885PSEN2 194/4885

“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.