SCHEMBL7855587

SCHEMBL7855587

[C-]#[N+]c1ccc(Oc2ccc3c(c2)COB3C)c(CN2CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 9/20 0.42
SCN9A Q15858 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTR6 P50406 3/20 0.32

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
SCHEMBL7855589 0.91 PDE4A (0.37) SOS1SCN9AGAAPDE4APDE4B
SCHEMBL7865159 0.90 PDE4B (0.46) SOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL10186855 0.89 SOS1 (0.34) SOS1SCN9APDE4APDE4BPDE4C
SCHEMBL7865866 0.84 PDE4B (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7863692 0.84 ROCK2 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL7862414 0.83 SLC6A4 (0.38) SOS1PDE4APDE4BPDE4CPDE4D
SCHEMBL10186853 0.80 PDE4B (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7863632 0.80 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL10186839 0.79 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL7855584 0.79 PDE4B (0.33) PDE4APDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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 (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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 SOS1 3222/4885SCN9A 4332/4885GAA 726/4885

“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.