SCHEMBL3340581

SCHEMBL3340581

C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 15/20 0.46
PSEN2 P49810 15/20 0.46
APH1B Q8WW43 15/20 0.46
NCSTN Q92542 15/20 0.46
APH1A Q96BI3 15/20 0.46
PSENEN Q9NZ42 15/20 0.46
GSAP A4D1B5 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL3343225 0.96 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3345093 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343883 0.94 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3347330 0.93 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343286 0.93 MEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343011 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3344119 0.92 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3345261 0.91 POLB (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3346680 0.91 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3343059 0.91 PSEN1 (0.43) 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 14 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
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO 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
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO 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 PSEN1 6/4885PSEN2 8/4885APH1B 3/4885
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 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
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 PSEN1 157/4885PSEN2 194/4885APH1B 73/4885

“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.