Sugi Predict

Sugi Predict / Compounds / SCHEMBL3274656

SCHEMBL3274656

SCHEMBL3274656

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PREP P48147 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ FKBP1A P62942 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1GAAPREP
SCHEMBL3273428 0.88 PDK1 (0.42) SMN1; SMN2LMNAALDH1A1GAAPREP
SCHEMBL3272148 0.83 PREP (0.45) SMN1; SMN2LMNAALDH1A1GAAPREP
SCHEMBL7300040 0.82 PREP (0.51) ALDH1A1GAAPREPFKBP1AMEN1
SCHEMBL19100168 0.78 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAAHTT
SCHEMBL19100105 0.78 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1GAAHTT
SCHEMBL23275255 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL3741628 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2535000 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2537464 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 — — US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 — — US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 — — 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 (2 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 SMN1; SMN2 2301/4885LMNA 2029/4885ALDH1A1 3450/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ SMN1; SMN2 3874/4885LMNA 905/4885ALDH1A1 3885/4885

“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.