SCHEMBL3346820

SCHEMBL3346820

COC(=O)[C@H](C(S)c1cccc2ccccc12)N(CCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
NQO2 P16083 1/20 0.39
IDO1 P14902 1/20 0.38
CASP1 P29466 1/20 0.38
MAPT P10636 2/20 0.38
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 2/20 0.35
NTSR1 P30989 1/20 0.35
KLK7 P49862 2/20 0.35
KLK5 Q9Y337 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL12189898 0.79 SYK (0.53) SYKIDO1MAPTCKS1BSKP1
SCHEMBL30841401 0.79 SYK (0.48) SYKIDO1MAPTCKS1BSKP1
SCHEMBL30841403 0.77 SYK (0.47) SYKIDO1MAPTCKS1BSKP1
SCHEMBL2525899 0.77 SYK (0.47) SYKIDO1MAPTCKS1BSKP1
SCHEMBL30841405 0.76 SYK (0.45) SYKIDO1MAPTCKS1BSKP1
SCHEMBL30841384 0.76 SYK (0.45) SYKIDO1MAPTCKS1BSKP1
SCHEMBL30841335 0.74 SYK (0.44) SYKIDO1MAPTL3MBTL1CTSS
SCHEMBL29171354 0.74 SYK (0.47) SYKIDO1MAPTCKS1BSKP1
SCHEMBL5643582 0.73 SYK (0.43) SYKNQO2IDO1CASP1MAPT
SCHEMBL14280788 0.73 SYK (0.48) SYKIDO1MAPTL3MBTL1CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 SYK 3726/4885NQO2 3418/4885IDO1 3671/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP SYK 3838/4885NQO2 1170/4885IDO1 3820/4885

“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.