SCHEMBL3343249

SCHEMBL3343249

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
PSEN1 P49768 4/20 0.52
PSEN2 P49810 4/20 0.52
APH1B Q8WW43 4/20 0.52
NCSTN Q92542 4/20 0.52
APH1A Q96BI3 4/20 0.52
PSENEN Q9NZ42 4/20 0.52
ALDH1A1 P00352 2/20 0.45
SMYD3 Q9H7B4 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 2/20 0.42
THRA P10827 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
SCHEMBL5966880 0.91 PSEN1 (0.50) MEN1KMT2AGAAPSEN1PSEN2
SCHEMBL3343088 0.85 THRA (0.52) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL4111216 0.85 TSHR (0.50) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3343337 0.85 TSHR (0.50) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3341044 0.81 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6253648 0.81 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3341048 0.81 TAS1R3 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13041533 0.81 SMYD3 (0.43) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3343332 0.81 PSEN1 (0.43) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL27405552 0.80 TAS1R3 (0.47) MEN1KMT2AGAAALDH1A1TAS1R3

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 MEN1 1947/4885KMT2A 4442/4885GAA 29/4885
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 MEN1 4378/4885KMT2A 2922/4885GAA 215/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MEN1 2194/4885KMT2A 4483/4885GAA 25/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MEN1 68/4885KMT2A 1685/4885GAA 1895/4885

“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.