SCHEMBL3343626

SCHEMBL3343626

C[C@H](N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1cccs1)C(=O)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
PSEN1 P49768 8/20 0.36
PSEN2 P49810 8/20 0.36
APH1B Q8WW43 8/20 0.36
NCSTN Q92542 8/20 0.36
APH1A Q96BI3 8/20 0.36
PSENEN Q9NZ42 8/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 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
SCHEMBL3343414 0.89 HSD17B10 (0.43) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL4111852 0.88 HSD17B10 (0.38) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3343210 0.88 PSEN1 (0.44) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL4117245 0.86 PSEN1 (0.39) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3348683 0.86 MEN1 (0.38) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL4110970 0.80 HSD17B10 (0.47) MEN1KMT2APKMGAAMAPT
SCHEMBL4110984 0.80 PSEN1 (0.41) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3340833 0.77 PSEN1 (0.43) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3343213 0.77 KDM4E (0.39) MEN1KMT2APKMGAAMAPT
SCHEMBL4115842 0.77 PSEN1 (0.33) 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 MEN1 4378/4885KMT2A 2922/4885PKM 2375/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MEN1 2194/4885KMT2A 4483/4885PKM 2595/4885

“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.