SCHEMBL1822801

SCHEMBL1822801

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3c(cc2F)COB3O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.54
CA1 P00915 5/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CYTH2 Q99418 1/20 0.41
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL1825282 0.89 CA1 (0.54) CA2CA1CA12CA9LMNA
SCHEMBL1827408 0.87 CA2 (0.54) CA2CA1CA12CA9CYTH2
SCHEMBL2409582 0.86 CA1 (0.42) CA2CA1CA12CA9FFAR4
SCHEMBL1820030 0.86 CA1 (0.51) CA2CA1CA12CA9CRHBP
SCHEMBL2409484 0.85 CA1 (0.47) CA2CA1CA12CA9MMP1
SCHEMBL1825015 0.85 PDE4A (0.43) CA2CA1CA12CA9PDE3A
SCHEMBL12319412 0.83 CA1 (0.39) CA2CA1CA12CA9PDE3A
SCHEMBL2405774 0.83 PDE4A (0.52) CA2CA1FFAR4ALDH1A1
SCHEMBL1135261 0.81 CA2 (0.67) CA2CA1CA12CA9FFAR4
SCHEMBL1818687 0.81 BDKRB1 (0.48) CA2CA1CA12CA9LMNA

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD CA2 1155/4885CA1 4452/4885CA12 564/4885

“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.