SCHEMBL1823409

SCHEMBL1823409

O=S(=O)(Nc1cc2c(cc1F)COB2O)c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
PDE3A Q14432 1/20 0.43
CA12 O43570 8/20 0.42
CA9 Q16790 8/20 0.42
BTK Q06187 1/20 0.41
CA4 P22748 4/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SLC40A1 Q9NP59 2/20 0.39
TYK2 P29597 1/20 0.39
CCKBR P32239 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
SCHEMBL1825541 0.87 ALDH1A1 (0.45) CA1CA2PDE3ACA12CA9
SCHEMBL1825015 0.85 PDE4A (0.43) CA1CA2PDE3ACA12CA9
SCHEMBL2406838 0.85 CA1 (0.46) CA1CA2PDE3ACA12CA9
SCHEMBL2409582 0.82 CA1 (0.42) CA1CA2PDE3ACA12CA9
SCHEMBL12655496 0.81 ACLY (0.43) CA1CA2PDE3ACA12CA9
SCHEMBL2409484 0.81 CA1 (0.47) CA1CA2PDE3ACA12CA9
SCHEMBL1827385 0.81 SLC40A1 (0.46) CA1CA2PDE3ABTKSLC40A1
SCHEMBL12655356 0.80 SLC40A1 (0.46) CA1CA2PDE3ABTKSLC40A1
SCHEMBL2191604 0.79 CA1 (0.48) CA1CA2PDE3ACA12CA9
SCHEMBL12319412 0.79 CA1 (0.39) CA1CA2PDE3ACA12CA9

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 CA1 4452/4885CA2 1155/4885PDE3A 4404/4885

“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.