SCHEMBL3272820

SCHEMBL3272820

CC(C)(C)C1C(=O)[C@H](CNC(=O)OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
FKBP1A P62942 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 1/20 0.40
PREP P48147 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABCB1 P08183 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3272787 0.86 SMN1; SMN2 (0.39) SMN1; SMN2FKBP1ALMNACYP3A4TSHR
SCHEMBL3107583 0.76 SMN1; SMN2 (0.41) SMN1; SMN2FKBP1ALMNAPREPHTT
SCHEMBL3274656 0.76 SMN1; SMN2 (0.41) SMN1; SMN2FKBP1ALMNAPREPHTT
SCHEMBL3273428 0.75 PDK1 (0.42) SMN1; SMN2FKBP1ALMNAPREPHTT
SCHEMBL3272148 0.75 PREP (0.45) SMN1; SMN2FKBP1ALMNAPREPHTT
SCHEMBL19100157 0.74 LMNA (0.46) SMN1; SMN2LMNACYP3A4TSHRMAPT
SCHEMBL7300040 0.73 PREP (0.51) FKBP1ACYP3A4TSHRPREPALDH1A1
SCHEMBL18334891 0.73 TGM2 (0.46) SMN1; SMN2FKBP1ALMNACYP3A4TSHR
SCHEMBL3272958 0.72 ABCB1 (0.46) MAPTSYKHTTABCB1
SCHEMBL13382307 0.72 ABCB1 (0.46) MAPTSYKHTTABCB1

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 SMN1; SMN2 2301/4885FKBP1A 2817/4885LMNA 2029/4885

“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.