SCHEMBL3346682

SCHEMBL3346682

C[C@@H](C(N)=O)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)Nc2ccccc2S[C@@H]1c1ccc(Br)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 4/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
GLA P06280 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
ESR2 Q92731 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
SCHEMBL5644377 0.90 MEN1 (0.34) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3343539 0.90 MEN1 (0.34) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3341599 0.85 KMT2A (0.35) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3347326 0.85 HTT (0.36) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3343010 0.83 HTT (0.41) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3342757 0.83 MAPT (0.37) TP53KDM4EHSD17B10TSHRMEN1
SCHEMBL3343058 0.79 TRPV1 (0.34) KDM4EHSD17B10HTTUSP2ESR1
SCHEMBL3345256 0.79 HSD17B10 (0.47) KDM4EHSD17B10TSHRMEN1KMT2A
SCHEMBL3346688 0.77 PSEN1 (0.43) TP53MEN1KMT2APKM
SCHEMBL3347303 0.76 HSD17B10 (0.41) TP53KDM4EHSD17B10TSHRMEN1

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
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
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 TP53 4815/4885KDM4E 4277/4885HSD17B10 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 TP53 4478/4885KDM4E 2187/4885HSD17B10 1589/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TP53 4810/4885KDM4E 4298/4885HSD17B10 655/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TP53 243/4885KDM4E 1937/4885HSD17B10 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.