SCHEMBL13035537

SCHEMBL13035537

CC(C)(C)OC(=O)NCOS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 11/20 0.41
CA1 P00915 10/20 0.41
CA2 P00918 9/20 0.41
CA14 Q9ULX7 4/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 7/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.37

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
SCHEMBL501069 0.81 CA1 (0.50) TDP1MEN1GAAKMT2ACA12
SCHEMBL18089702 0.79 PTPN11 (0.42) TDP1MEN1GAAKMT2ACA12
SCHEMBL455207 0.79 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL1964837 0.79 TDP1 (0.40) TDP1MEN1GAAKMT2ACA12
SCHEMBL691118 0.78 TDP1 (0.58) TDP1MEN1GAAKMT2ACA12
SCHEMBL18990109 0.78 MEN1 (0.41) TDP1MEN1GAAKMT2ACA12
SCHEMBL31347705 0.77 HCRTR2 (0.38) TDP1MEN1GAAKMT2ACA12
SCHEMBL23370069 0.76 MEN1 (0.40) TDP1MEN1GAAKMT2ACA12
SCHEMBL21997325 0.76 TDP1 (0.61) TDP1MEN1GAAKMT2ACA12
SCHEMBL1811776 0.76 TDP1 (0.53) TDP1MEN1GAAKMT2ACA12

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 TDP1 1943/4885MEN1 204/4885GAA 341/4885
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 TDP1 2830/4885MEN1 3905/4885GAA 2340/4885

“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.