SCHEMBL13035536

SCHEMBL13035536

CC(C)(C)OC(=O)NCOc1cccc(C=O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
DRD2 P14416 3/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TLR2 O60603 1/20 0.35
ERN1 O75460 1/20 0.35
TLR1 Q15399 1/20 0.35
TLR6 Q9Y2C9 1/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL454460 0.87 CA12 (0.46) KDM4EL3MBTL1TDP1DRD2ADRB2
SCHEMBL453828 0.86 CA12 (0.47) KDM4EL3MBTL1TDP1DRD2ADRB2
SCHEMBL13035491 0.78 KLK5 (0.41) KDM4EEPHX2ALDH1A1AAK1
SCHEMBL13035568 0.78 LMNA (0.45) L3MBTL1PTGDR2SMN1; SMN2ALDH1A1HTT
SCHEMBL13035456 0.78 AAK1 (0.41) KDM4EL3MBTL1TDP1EPHX2PTGDR2
SCHEMBL26508534 0.78 SIRT2 (0.47) KDM4ETDP1ALDH1A1EGFRRAF1
SCHEMBL3446935 0.77 KLK5 (0.40) KDM4EEPHX2ALDH1A1
SCHEMBL14398975 0.75 ALDH1A1 (0.53) KDM4EPTGDR2DRD2ADRB2HTR1A
SCHEMBL593088 0.74 ALDH1A1 (0.51) TDP1PTGDR2DRD2ADRB2HTR1A
SCHEMBL16446969 0.74 ALDH1A1 (0.42) PTGDR2SMN1; SMN2ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-05-14 US disclosed
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 (3 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 KDM4E 4039/4885L3MBTL1 395/4885TDP1 1943/4885
US-20150133402-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BCL6 KDM4E 4039/4885L3MBTL1 395/4885TDP1 1943/4885
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 KDM4E 2477/4885L3MBTL1 305/4885TDP1 2830/4885

“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.