SCHEMBL3343891

SCHEMBL3343891

COC(=O)C(NC(=O)OCc1ccccc1)C(SCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
MAPT P10636 2/20 0.46
IDO1 P14902 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KLK5 Q9Y337 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
CTSB P07858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL3348717 0.86 SYK (0.48) SYKMAPTIDO1TRPM8CTSL
SCHEMBL3348722 0.86 SYK (0.48) SYKMAPTIDO1TRPM8CTSL
SCHEMBL3342490 0.82 TRPM8 (0.50) TRPM8CTSLCTSSPPARGMEN1
SCHEMBL14260845 0.80 IDO1 (0.41) SYKMAPTIDO1CTSSPPARG
SCHEMBL12292809 0.79 SYK (0.56) SYKMAPTTRPM8CTSLCTSS
SCHEMBL12292806 0.79 SYK (0.56) SYKMAPTTRPM8CTSLCTSS
SCHEMBL2217445 0.77 MAPT (0.51) SYKMAPTIDO1CTSLCTSS
SCHEMBL14561127 0.77 SYK (0.61) SYKMAPTIDO1CTSLCTSS
SCHEMBL16847810 0.77 SYK (0.49) SYKCTSLCTSS
SCHEMBL30063239 0.77 SYK (0.58) SYKMAPTTRPM8CTSLCTSS

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 13 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
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 SYK 3724/4885MAPT 23/4885IDO1 3826/4885
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 SYK 3726/4885MAPT 24/4885IDO1 3671/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP SYK 3838/4885MAPT 24/4885IDO1 3820/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 SYK 733/4885MAPT 1368/4885IDO1 3559/4885

“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.