SCHEMBL3343258

SCHEMBL3343258

C[C@H](N[C@@H]1C(=O)NCCS[C@@H]1c1ccccc1)C(=O)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.40
PSEN2 P49810 14/20 0.40
APH1B Q8WW43 14/20 0.40
NCSTN Q92542 14/20 0.40
APH1A Q96BI3 14/20 0.40
PSENEN Q9NZ42 14/20 0.40
MAP2K1 Q02750 3/20 0.37
GSAP A4D1B5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3342676 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14260862 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3342645 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3345217 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343414 0.81 HSD17B10 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3341085 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4111852 0.77 HSD17B10 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3346977 0.76 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344118 0.76 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4843314 0.74 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 PSEN1 3/4885PSEN2 4/4885APH1B 10/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP PSEN1 6/4885PSEN2 8/4885APH1B 5/4885

“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.