SCHEMBL1827385

SCHEMBL1827385

O=S(=O)(Nc1cc2c(cc1F)COB2O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.46
GLO1 Q04760 4/20 0.41
BRAF P15056 1/20 0.39
TYK2 P29597 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PDE3A Q14432 1/20 0.39
KAT6A Q92794 1/20 0.38
MMP2 P08253 1/20 0.38
PRF1 P14222 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL12319341 0.87 GLO1 (0.41) SLC40A1GLO1CA1CA2MMP2
SCHEMBL1824894 0.85 CA1 (0.42) TYK2BTKCA1CA2PDE3A
SCHEMBL1825015 0.83 PDE4A (0.43) CA1CA2PDE3A
SCHEMBL1825541 0.82 ALDH1A1 (0.45) CA1CA2PDE3A
SCHEMBL1827272 0.81 CA1 (0.41) BTKCA1CA2
SCHEMBL13035427 0.81 CA1 (0.52) CA1CA2
SCHEMBL1823409 0.81 CA1 (0.43) SLC40A1TYK2BTKCA1CA2
SCHEMBL12655356 0.80 SLC40A1 (0.46) SLC40A1GLO1BRAFTYK2JAK2
SCHEMBL12655496 0.79 ACLY (0.43) SLC40A1CA1CA2PDE3AMETAP2
SCHEMBL2406838 0.78 CA1 (0.46) BTKCA1CA2PDE3AKAT6A

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-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
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 SLC40A1 1763/4885GLO1 4022/4885BRAF 304/4885

“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.