SCHEMBL3341068

SCHEMBL3341068

C[C@H](N)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)N(CC(=O)O)c2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.38
ACE P12821 4/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 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
SCHEMBL3343364 0.90 MEN1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL3343473 0.90 MEN1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL3342670 0.90 XIAP (0.35) MEN1KMT2AF2F10PRSS1
SCHEMBL5227404 0.90 XIAP (0.35) MEN1KMT2AF2F10PRSS1
SCHEMBL3342704 0.90 PSEN1 (0.39) MEN1KMT2AF2F10PRSS1
SCHEMBL3349431 0.90 MEN1 (0.34) ALDH1A1L3MBTL1MEN1KMT2ANPC1
SCHEMBL3344935 0.90 F10 (0.37) ALDH1A1L3MBTL1MEN1KMT2AF2
Hydrochloric Acid SCHEMBL3555507 0.89 F10 (0.36) ALDH1A1L3MBTL1MEN1KMT2AF2
SCHEMBL5225483 0.87 F10 (0.42) ALDH1A1MEN1KMT2AGAAF2
SCHEMBL3349371 0.87 F10 (0.42) ALDH1A1MEN1KMT2AGAAF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MME 345/4885ACE 139/4885ALDH1A1 2343/4885
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 MME 774/4885ACE 154/4885ALDH1A1 1630/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MME 263/4885ACE 106/4885ALDH1A1 2328/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MME 673/4885ACE 1364/4885ALDH1A1 1230/4885

“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.