SCHEMBL11993065

SCHEMBL11993065

COc1cc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)c(C=O)c2)ccc1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.34
NPC1 O15118 1/20 0.34
ERN1 O75460 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TNFRSF1A P19438 1/20 0.34
UCHL1 P09936 1/20 0.33

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
SCHEMBL2528859 0.87 UCHL1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11993074 0.83 KMT2A (0.36) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL11993071 0.80 PDE4B (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL25594012 0.80 ERN1 (0.49) ALDH1A1MAPTCYP1A2CYP2C19RAB9A
SCHEMBL11993064 0.77 PRKDC (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2527658 0.76 F10 (0.40) PDE4BUCHL1
SCHEMBL31337767 0.76 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2529056 0.75 CYP1A2 (0.36) PDE4BALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7864392 0.75 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1CYP2C19
SCHEMBL2529391 0.74 PDE4B (0.41) PDE4BUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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 (4 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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 PDE4A 1019/4885PDE4B 776/4885PDE4C 1729/4885

“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.