SCHEMBL3345099

SCHEMBL3345099

NC(=O)[C@H](Cc1ccccc1)N(C(=O)Cc1cc(F)cc(F)c1)[C@@H]1C(=O)NCCS[C@@H]1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MAP2K1 Q02750 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
KMT2A Q03164 1/20 0.30
PSMB11 A5LHX3 1/20 0.30
PSMA7 O14818 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMA1 P25786 1/20 0.30
PSMA2 P25787 1/20 0.30
PSMA3 P25788 1/20 0.30
PSMA4 P25789 1/20 0.30
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30
PSMA5 P28066 1/20 0.30
PSMB4 P28070 1/20 0.30
PSMB6 P28072 1/20 0.30
PSMB5 P28074 1/20 0.30
PSMB10 P40306 1/20 0.30

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
SCHEMBL3345096 0.83 OPRM1 (0.34) DPP4DPP8DPP7MAP2K1SIGMAR1
SCHEMBL3347303 0.81 HSD17B10 (0.41) KMT2A
SCHEMBL3342680 0.79 MAP2K1 (0.33) DPP4DPP8DPP7MAP2K1
SCHEMBL3342647 0.78 MAP2K1 (0.32) MAP2K1
SCHEMBL3345219 0.76 GPR88 (0.32) MAP2K1
SCHEMBL5645863 0.69 HSD17B10 (0.36) KMT2A
SCHEMBL3344742 0.67 MC4R (0.32)
SCHEMBL3343258 0.67 PSEN1 (0.40) MAP2K1SIGMAR1
SCHEMBL3342676 0.67 PSEN1 (0.49) MAP2K1SIGMAR1
SCHEMBL14260862 0.67 PSEN1 (0.49) MAP2K1SIGMAR1

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 8 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
EP-1554250-B1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2007-09-26 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 DPP4 1064/4885DPP8 1312/4885DPP7 519/4885
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 DPP4 210/4885DPP8 972/4885DPP7 247/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP DPP4 792/4885DPP8 923/4885DPP7 318/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 DPP4 1577/4885DPP8 1452/4885DPP7 1180/4885

“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.