SCHEMBL566199

SCHEMBL566199

CC(=O)CCCOc1nc(Cl)c(C2CC2)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PARP1 P09874 1/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
ROCK2 O75116 3/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
RAB9A P51151 1/20 0.32
DGAT1 O75907 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
SCHEMBL566095 0.86 CNR1 (0.44) CNR1PARP1PDE4APDE4BROCK2
SCHEMBL566130 0.82 CNR2 (0.41) SCN9ACNR1CNR2PARP1
SCHEMBL566098 0.74 SCN9A (0.42) SCN9APARP1MEN1KMT2A
SCHEMBL10235414 0.70 CNR1 (0.39) SCN9ACNR1PARP1PDE4APDE4B
SCHEMBL566220 0.68 CNR1 (0.42) SCN9ACNR1CNR2RAB9A
SCHEMBL10186958 0.68 PDE4B (0.37) PDE4APDE4BMEN1ALDH1A1KMT2A
SCHEMBL566051 0.68 PDE4B (0.57) CNR1CNR2PDE4APDE4BPDE3B
SCHEMBL564704 0.68 CYP2C9 (0.46) CNR1PDE4APDE4B
SCHEMBL566219 0.67 CNR1 (0.40) CNR1RAB9A
SCHEMBL10237024 0.66 PDE4B (0.56) PDE4APDE4BPDE3BPDE3AP2RY12

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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 SCN9A 2319/4885CNR1 1409/4885CNR2 1069/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 SCN9A 2319/4885CNR1 1409/4885CNR2 1069/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 SCN9A 2319/4885CNR1 1409/4885CNR2 1069/4885

“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.