SCHEMBL3272818

SCHEMBL3272818

CC(C)(C)OC(=O)N1CC(=O)[C@H](CNC(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
NAMPT P43490 1/20 0.46
CTSL P07711 5/20 0.45
CTSK P43235 5/20 0.45
CTSS P25774 3/20 0.45
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
SYK P43405 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
STS P08842 1/20 0.41
CTSB P07858 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
SCHEMBL13382307 1.00 ABCB1 (0.46) ABCB1NAMPTCTSLCTSKCTSS
SCHEMBL3272958 1.00 ABCB1 (0.46) ABCB1NAMPTCTSLCTSKCTSS
SCHEMBL13382577 0.87 KDM4E (0.46) ABCB1NAMPTKDM4EPKMSYK
SCHEMBL3272782 0.87 KDM4E (0.46) ABCB1NAMPTKDM4EPKMSYK
SCHEMBL13382306 0.87 KDM4E (0.46) ABCB1NAMPTKDM4EPKMSYK
SCHEMBL3824694 0.84 CTSK (0.51) CTSLCTSKCTSSCTSB
SCHEMBL2826301 0.84 NAMPT (0.61) ABCB1NAMPTKDM4EPKMSYK
SCHEMBL5341676 0.83 NAMPT (0.44) NAMPTKDM4EPKMMAPTMEN1
SCHEMBL764742 0.83 CTSK (0.58) CTSLCTSKCTSSCTSB
SCHEMBL5504994 0.81 KLK7 (0.47) NAMPTKDM4EPKMGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 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 (1 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 ABCB1 2888/4885NAMPT 340/4885CTSL 2296/4885

“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.