SCHEMBL13035566

SCHEMBL13035566

CS(=O)(=O)OCNC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
TGM2 P21980 1/20 0.47
PLAU P00749 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL3524616 0.85 LMNA (0.68) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL3445880 0.83 HTT (0.62) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL10876313 0.83 ALDH1A1 (0.73) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL28076211 0.83 LMNA (0.47) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL2453446 0.82 HTT (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL10954785 0.81 TGM2 (0.60) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL21069451 0.81 SMN1; SMN2 (0.74) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL21069445 0.81 SMN1; SMN2 (0.74) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL21070677 0.81 SMN1; SMN2 (0.74) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6758924 0.81 SMN1; SMN2 (0.74) LMNASMN1; SMN2CA12CA1CA2

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 LMNA 4338/4885SMN1; SMN2 3437/4885CA12 875/4885
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 LMNA 3968/4885SMN1; SMN2 3017/4885CA12 4785/4885

“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.