SCHEMBL13035565

SCHEMBL13035565

CC1(C)OB(c2c(C=O)cccc2OCNC(=O)OCc2ccccc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SRC P12931 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL3446414 0.90 L3MBTL1 (0.47) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL13035456 0.83 AAK1 (0.41) L3MBTL1HTTPTGDR2
SCHEMBL5019528 0.80 DGAT1 (0.39) L3MBTL1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL3446612 0.79 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL3445760 0.79 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL461296 0.79 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL16446807 0.78 SRC (0.37) SMN1; SMN2MAPTHTTALDH1A1SRC
SCHEMBL19519484 0.78 SRC (0.38) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL13035568 0.78 LMNA (0.45) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL2679272 0.76 MTNR1A (0.42) L3MBTL1SMN1; SMN2HTTALDH1A1PTGDR2

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-8895534-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20100292504-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-7816344-B2 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics ANACOR PHARMACEUTICALS, INC. (US) 2009-09-10 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-20100292504-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 L3MBTL1 395/4885LMNA 4338/4885SMN1; SMN2 3437/4885
US-20090227541-A1 oxaboroles such as 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol, useful for treating bacterial infections; microbiocides; antibiotics OXA1L, TLR1, OXER1 L3MBTL1 305/4885LMNA 3968/4885SMN1; SMN2 3017/4885

“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.