SCHEMBL3273428

SCHEMBL3273428

CC(C)(C)C1[C@H](F)[C@@H](CNC(=O)OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR2C P28335 1/20 0.40
GAA P10253 1/20 0.40
PREP P48147 2/20 0.39
HTT P42858 1/20 0.39
ABCB1 P08183 1/20 0.39
CCKBR P32239 2/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL3107583 0.88 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4LMNA
SCHEMBL3274656 0.88 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4LMNA
SCHEMBL3272148 0.83 PREP (0.45) LMNASMN1; SMN2ALDH1A1GAAPREP
SCHEMBL7300040 0.81 PREP (0.51) ALDH1A1GAAPREPFKBP1A
SCHEMBL28932011 0.78 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAACTSLCTSB
SCHEMBL3272820 0.75 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1GAAPREP
SCHEMBL19100105 0.75 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1HTR2CGAA
SCHEMBL19100168 0.75 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1HTR2CGAA
SCHEMBL24897357 0.75 LMNA (0.54) LMNASMN1; SMN2ALDH1A1HTR2CGAA
SCHEMBL25774187 0.75 LMNA (0.54) LMNASMN1; SMN2ALDH1A1HTR2CGAA

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 2 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-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 PDK1 1578/4885PDK2 396/4885PDK3 497/4885

“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.