SCHEMBL2529973

SCHEMBL2529973

CC(C)(C)[Si](C)(C)OCCNc1nc(Oc2ccc(Br)c(C=O)c2)ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
PDE4B Q07343 3/20 0.32
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2528886 0.87 FGFR4 (0.37) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL7863070 0.85 CA12 (0.31) CA12CA1CA9
SCHEMBL2525827 0.85 GPR119 (0.32)
SCHEMBL2529440 0.84 PDE4B (0.35) PDE4BPDE4APDE4CPDE4D
SCHEMBL2532038 0.84 HRH3 (0.34) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL8004310 0.84 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2526441 0.82 PDE4B (0.31) PDE4BPDE4APDE4CPDE4D
SCHEMBL2531391 0.81 HRH3 (0.35) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2530076 0.80 KDM4E (0.37) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL2531559 0.76 GPR119 (0.30)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-3246034-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2017-11-22 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
EP-2564857-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2017-05-03 EP disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
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-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-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2014-01-09 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-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
EP-2564857-A1 Boron-containing small molecules as anti-inflammatory agents Anacor Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
EP-2187893-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS Anacor Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 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 (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-20140011768-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 ALDH1A1 3761/4885HPGD 1025/4885KDM4E 4296/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ALDH1A1 3761/4885HPGD 1025/4885KDM4E 4296/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ALDH1A1 3761/4885HPGD 1025/4885KDM4E 4296/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ALDH1A1 3761/4885HPGD 1025/4885KDM4E 4296/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 ALDH1A1 3761/4885HPGD 1025/4885KDM4E 4296/4885

“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.