SCHEMBL3348683

SCHEMBL3348683

C[C@H](N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1cc(F)ccc1F)C(=O)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
PSEN1 P49768 8/20 0.37
PSEN2 P49810 8/20 0.37
APH1B Q8WW43 8/20 0.37
NCSTN Q92542 8/20 0.37
APH1A Q96BI3 8/20 0.37
PSENEN Q9NZ42 8/20 0.37
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 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
SCHEMBL4115842 0.91 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4279507 0.90 HTT (0.36) MEN1KMT2APKMHTTHSD17B10
SCHEMBL3344124 0.90 HTT (0.36) MEN1KMT2APKMHTTHSD17B10
SCHEMBL4111852 0.89 HSD17B10 (0.38) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL4117245 0.89 PSEN1 (0.39) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3343414 0.88 HSD17B10 (0.43) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3348681 0.87 PSEN1 (0.46) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3344874 0.87 PSEN1 (0.46) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL3343626 0.86 MEN1 (0.37) MEN1KMT2APKMPSEN1PSEN2
SCHEMBL5227934 0.82 PSEN1 (0.36) MEN1KMT2APKMPSEN1PSEN2

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.