SCHEMBL3343337

SCHEMBL3343337

COC(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
HTT P42858 1/20 0.44
PSEN1 P49768 13/20 0.44
PSEN2 P49810 13/20 0.44
APH1B Q8WW43 13/20 0.44
NCSTN Q92542 13/20 0.44
APH1A Q96BI3 13/20 0.44
PSENEN Q9NZ42 13/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4111216 1.00 TSHR (0.50) TSHRRECQLSMYD3HTTPSEN1
SCHEMBL4417236 0.88 SMYD3 (0.47) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL4417233 0.88 SMYD3 (0.47) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL4424434 0.87 SMYD3 (0.44) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL4424438 0.87 SMYD3 (0.44) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL3343185 0.86 SMYD3 (0.50) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL5966880 0.85 PSEN1 (0.50) SMYD3PSEN1PSEN2APH1BNCSTN
SCHEMBL3343249 0.85 MEN1 (0.52) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL3088596 0.84 SMYD3 (0.48) SMYD3HTTPSEN1PSEN2APH1B
SCHEMBL4106052 0.84 SMYD3 (0.48) SMYD3HTTPSEN1PSEN2APH1B

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 12 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
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 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 TSHR 4728/4885RECQL 2533/4885SMYD3 4646/4885
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 TSHR 4423/4885RECQL 3040/4885SMYD3 4701/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TSHR 4717/4885RECQL 2533/4885SMYD3 4674/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TSHR 3858/4885RECQL 4689/4885SMYD3 860/4885

“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.