SCHEMBL3344865

SCHEMBL3344865

CC(C)C[C@H](O)C(=O)N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.68
LTA4H P09960 2/20 0.68
MMP9 P14780 5/20 0.52
MMP2 P08253 4/20 0.52
MMP14 P50281 3/20 0.52
MMP1 P03956 2/20 0.52
MMP3 P08254 2/20 0.52
FOLH1 Q04609 1/20 0.50
MME P08473 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LAP3 P28838 1/20 0.46
NPEPPS P55786 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
MMP8 P22894 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL27751007 1.00 ANPEP (0.68) ANPEPLTA4HMMP9MMP2MMP14
SCHEMBL21575912 0.82 ANPEP (1.00) ANPEPLTA4HMMP9MMP2MMP14
SCHEMBL21715301 0.82 ANPEP (1.00) ANPEPLTA4HMMP9MMP2MMP14
SCHEMBL8310215 0.81 LTA4H (0.56) ANPEPLTA4HFOLH1LMNAALDH1A1
SCHEMBL12864508 0.81 LTA4H (0.56) ANPEPLTA4HFOLH1LMNAALDH1A1
SCHEMBL3175279 0.78 CTRB1 (0.59) ANPEPLTA4HLMNANAALAD2MAPK1
SCHEMBL31656407 0.78 CTRB1 (0.59) ANPEPLTA4HLMNANAALAD2MAPK1
SCHEMBL15730732 0.77 LMNA (0.53) ANPEPLTA4HMMP9MMP2MMP14
SCHEMBL26213571 0.77 LMNA (0.53) ANPEPLTA4HMMP9MMP2MMP14
SCHEMBL26724960 0.77 LMNA (0.53) ANPEPLTA4HMMP9MMP2MMP14

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 11 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
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP 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
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO 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 ANPEP 80/4885LTA4H 901/4885MMP9 298/4885
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 ANPEP 282/4885LTA4H 1052/4885MMP9 1443/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ANPEP 56/4885LTA4H 840/4885MMP9 250/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ANPEP 3261/4885LTA4H 2485/4885MMP9 2529/4885

“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.