SCHEMBL1825541

SCHEMBL1825541

O=S(=O)(Nc1cc2c(cc1F)COB2O)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
PDE3A Q14432 1/20 0.42
ACLY P53396 3/20 0.41
TSHR P16473 1/20 0.40
CCR2 P41597 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
HPGD P15428 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
SCHEMBL12655496 0.90 ACLY (0.43) CA1CA2PDE3AACLYPDE4A
SCHEMBL2405809 0.87 ROCK2 (0.38) ALDH1A1LMNAKDM4ECA1CA2
SCHEMBL2402318 0.87 PDE4B (0.47) PDE3AACLYPDE4APDE4BPDE4C
SCHEMBL12271201 0.87 ACLY (0.53) ALDH1A1CA1CA2ACLYTSHR
SCHEMBL2405139 0.87 ACLY (0.39) ALDH1A1LMNAKDM4ECA1CA2
SCHEMBL1825015 0.87 PDE4A (0.43) CA1CA2PDE3APDE4APDE4B
SCHEMBL1823409 0.87 CA1 (0.43) CA1CA2PDE3APDE4APDE4B
SCHEMBL2191604 0.85 CA1 (0.48) CA1CA2PDE3ACCR2PDE4A
SCHEMBL1826479 0.85 SLC40A1 (0.44) KDM4ECA1CA2PDE3AACLY
SCHEMBL3423045 0.83 CA1 (0.53) CA1CA2CA12CA9

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 ALDH1A1 4190/4885LMNA 3490/4885KDM4E 2557/4885

“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.