SCHEMBL13833141

SCHEMBL13833141

N#Cc1ccc(Cc2ccc3c(c2)COB3O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.64
PDE4A P27815 8/20 0.64
PDE4C Q08493 8/20 0.64
PDE4D Q08499 8/20 0.64
PDE3A Q14432 2/20 0.64
CHRM1 P11229 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE1A P54750 1/20 0.64
PDE3B Q13370 1/20 0.64
PDE7A Q13946 1/20 0.64
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL22423385 0.90 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL22847888 0.85 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL5583384 0.84 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL596680 0.84 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL22423317 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL595583 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL5583250 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3A
Crisaborole SCHEMBL595261 0.78 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL12488160 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3A
Crisaborole SCHEMBL5583372 0.78 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents ANACOR PHARMACEUTICALS INC (US) 2018-10-11 US disclosed
US-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. 2016-07-14 US disclosed
US-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. 2016-07-14 US disclosed
WO-2015042532-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
WO-2015042532-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
US-8722917-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-13 US disclosed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 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 (5 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-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF PDE4B 855/4885PDE4A 1121/4885PDE4C 1792/4885
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF PDE4B 731/4885PDE4A 1005/4885PDE4C 1696/4885
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF PDE4B 731/4885PDE4A 1005/4885PDE4C 1696/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PDE4B 4444/4885PDE4A 4397/4885PDE4C 4585/4885
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents NFKBIA, TNF, LITAF PDE4B 731/4885PDE4A 1005/4885PDE4C 1696/4885

“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.