SCHEMBL3344181

SCHEMBL3344181

N[C@@H](CO)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)Nc2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
ALOX15 P16050 1/20 0.31
PARP1 P09874 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4724636 1.00 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3341438 0.91 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3342801 0.90 HSD17B10 (0.38) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3343190 0.84 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL3342838 0.84 HSD17B10 (0.39) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL5645863 0.83 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL3342821 0.82 TP53 (0.43) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3346668 0.80 MC4R (0.37) HSD17B10ALDH1A1TP53ALOX15MAPT
SCHEMBL3343838 0.77 HSD17B10 (0.37) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3344114 0.76 TP53 (0.35) HSD17B10ALDH1A1TP53MAPK1PARP1

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 15 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-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US claimed
JP-2006503862-A 2006-02-02 JP claimed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP claimed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO 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
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 HSD17B10 512/4885ALDH1A1 2343/4885TP53 4815/4885
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 HSD17B10 1589/4885ALDH1A1 1630/4885TP53 4478/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSD17B10 655/4885ALDH1A1 2328/4885TP53 4810/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885ALDH1A1 1230/4885TP53 243/4885

“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.