SCHEMBL3344004

SCHEMBL3344004

CC(C)C[C@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
IDO1 P14902 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PARP1 P09874 1/20 0.34
TSHR P16473 1/20 0.33
TDO2 P48775 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3342737 0.85 TP53 (0.38) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3341438 0.80 HSD17B10 (0.36) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3343372 0.79 TP53 (0.39) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3342732 0.73 TP53 (0.41) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3343838 0.73 HSD17B10 (0.37) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3342821 0.71 TP53 (0.43) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3344000 0.70 IDO1 (0.48) ALDH1A1IDO1MAPTHPGD
SCHEMBL3342801 0.70 HSD17B10 (0.38) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL4724636 0.70 HSD17B10 (0.36) ALDH1A1MAPK1HSD17B10IDO1TP53
SCHEMBL3344181 0.70 HSD17B10 (0.36) ALDH1A1MAPK1HSD17B10IDO1TP53

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 7 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

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 ALDH1A1 2343/4885MAPK1 3145/4885HSD17B10 512/4885
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 ALDH1A1 1630/4885MAPK1 2640/4885HSD17B10 1589/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ALDH1A1 2328/4885MAPK1 3482/4885HSD17B10 655/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ALDH1A1 1230/4885MAPK1 90/4885HSD17B10 917/4885

“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.