SCHEMBL3343216

SCHEMBL3343216

CC(C)C[C@H](O)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)Nc2cc(F)ccc2O[C@@H]1c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.35
ANPEP P15144 3/20 0.35
LTA4H P09960 2/20 0.35
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP14 P50281 2/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PSMB5 P28074 1/20 0.34
CAPNS1 P04632 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
SCHEMBL3343221 1.00 GRM7 (0.35) GRM7ANPEPLTA4HMMP2MMP9
SCHEMBL3343297 0.90 HSD17B10 (0.44) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3343374 0.90 HSD17B10 (0.44) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3346528 0.89 TP53 (0.40) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL5225277 0.89 TP53 (0.40) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL5225285 0.89 TP53 (0.40) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3346522 0.89 TP53 (0.40) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3346480 0.83 PSEN1 (0.38) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3346473 0.83 PSEN1 (0.38) ANPEPLTA4HMMP2MMP9MMP1
SCHEMBL3343365 0.81 TP53 (0.41) HSD17B10PARP1

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-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US claimed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP 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

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 GRM7 1864/4885ANPEP 80/4885LTA4H 901/4885
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 GRM7 433/4885ANPEP 282/4885LTA4H 1052/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP GRM7 1557/4885ANPEP 56/4885LTA4H 840/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 GRM7 3221/4885ANPEP 3261/4885LTA4H 2485/4885

“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.