SCHEMBL7861597

SCHEMBL7861597

CB1OCc2cc(Oc3ccc(C(=O)NCc4ccccc4)cc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.60
MAPK14 Q16539 8/20 0.54
MMP13 P45452 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
EPHX2 P34913 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
FFAR1 O14842 1/20 0.47
ROCK2 O75116 1/20 0.47
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL2529878 0.88 PDE4B (0.66) HPGDMAPK14MMP13LMNACYP3A4
SCHEMBL7856219 0.85 MAPK14 (0.62) HPGDMAPK14MMP13LMNAHTT
SCHEMBL11993041 0.84 PDE4B (0.52) MMP13PDE4APDE4BPDE4CPDE4D
SCHEMBL7866726 0.84 MMP13 (0.55) MMP13PDE4APDE4BPDE4CPDE4D
SCHEMBL7862771 0.83 PDE4B (0.54) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL7861634 0.81 ALDH1A1 (0.50) MMP13PDE4APDE4BPDE4CPDE4D
SCHEMBL7863402 0.81 PDE4B (0.74) PDE4APDE4BPDE4CPDE4D
SCHEMBL2527747 0.80 PDE4B (0.67) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL2533551 0.80 PDE4B (0.67) MAPK14MMP13CYP3A4HTTSMN1; SMN2
SCHEMBL2527258 0.80 PDE4B (0.67) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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 9 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
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 (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 HPGD 1025/4885MAPK14 1075/4885MMP13 279/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HPGD 1025/4885MAPK14 1075/4885MMP13 279/4885
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HPGD 1025/4885MAPK14 1075/4885MMP13 279/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 HPGD 1025/4885MAPK14 1075/4885MMP13 279/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 HPGD 1025/4885MAPK14 1075/4885MMP13 279/4885

“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.