SCHEMBL3342537

SCHEMBL3342537

COc1ccc([C@H]2Sc3ccccc3NC(=O)[C@H]2N(C(=O)[C@H](C)N)C(=O)[C@@H](O)CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SLC2A1 P11166 1/20 0.40
HSD17B10 Q99714 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
THRB P10828 2/20 0.38
HPGD P15428 2/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
ABCB11 O95342 2/20 0.37

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
SCHEMBL5641921 0.84 MEN1 (0.40) MEN1KMT2ASLC2A1HSD17B10POLB
SCHEMBL3343287 0.81 MEN1 (0.41) MEN1KMT2ASLC2A1HSD17B10POLB
SCHEMBL3342534 0.75 MEN1 (0.43) MEN1KMT2ASLC2A1HSD17B10POLB
SCHEMBL3343226 0.73 HSD17B10 (0.38) MEN1KMT2AHSD17B10POLBKDM4E
SCHEMBL3343372 0.72 TP53 (0.39) MEN1KMT2AHSD17B10THRBHPGD
SCHEMBL3340585 0.72 HSD17B10 (0.43) MEN1KMT2AHSD17B10POLBKDM4E
SCHEMBL3343886 0.72 KDM4E (0.39) MEN1KMT2AHSD17B10POLBKDM4E
SCHEMBL3346588 0.71 MAP2K1 (0.35) HSD17B10TDP1HTTALDH1A1
SCHEMBL4122650 0.71 HSD17B10 (0.36) MEN1KMT2AHSD17B10POLBKDM4E
SCHEMBL11356644 0.71 KDM4E (0.61) MEN1KMT2ASLC2A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP 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 MEN1 1947/4885KMT2A 4442/4885SLC2A1 4477/4885
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 2922/4885SLC2A1 3527/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP MEN1 2194/4885KMT2A 4483/4885SLC2A1 4425/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 MEN1 68/4885KMT2A 1685/4885SLC2A1 2722/4885

“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.