SCHEMBL3344038

SCHEMBL3344038

C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MME P08473 4/20 0.47
PSEN1 P49768 8/20 0.46
PSEN2 P49810 8/20 0.46
APH1B Q8WW43 8/20 0.46
NCSTN Q92542 8/20 0.46
APH1A Q96BI3 8/20 0.46
PSENEN Q9NZ42 8/20 0.46
SPPL2A Q8TCT8 1/20 0.46
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A3 Q01959 1/20 0.41
EIF2S1 P05198 3/20 0.40
EIF2AK3 Q9NZJ5 3/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL3344127 1.00 CES2 (0.47) CES2CES1MMEPSEN1PSEN2
SCHEMBL7374087 1.00 CES2 (0.47) CES2CES1MMEPSEN1PSEN2
SCHEMBL3376899 0.84 CES2 (0.45) CES2CES1PSEN1PSEN2APH1B
SCHEMBL3369785 0.84 CES2 (0.45) CES2CES1PSEN1PSEN2APH1B
SCHEMBL1572867 0.80 CES2 (0.63) CES2CES1LMNA
SCHEMBL1572839 0.80 CES2 (0.63) CES2CES1LMNA
SCHEMBL851355 0.80 CES2 (0.63) CES2CES1LMNA
SCHEMBL27528189 0.79 CES2 (0.46) CES2CES1PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL7248837 0.78 CES2 (0.61) CES2CES1LMNAEIF2AK3
Hydrochloric Acid SCHEMBL7248840 0.78 CES2 (0.61) CES2CES1LMNAEIF2AK3

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 CES2 562/4885CES1 249/4885MME 345/4885
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 CES2 2679/4885CES1 974/4885MME 774/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP CES2 500/4885CES1 307/4885MME 263/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 CES2 3031/4885CES1 1320/4885MME 673/4885

“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.