SCHEMBL566172

SCHEMBL566172

NC(=O)c1cc(Cl)c(Cl)nc1OCCOC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
ROCK2 O75116 2/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 0.33
CASP1 P29466 1/20 0.33
JAK2 O60674 1/20 0.32
SCN9A Q15858 2/20 0.32
CYP2C9 P11712 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
NNMT P40261 1/20 0.31
TYK2 P29597 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
AURKB Q96GD4 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
PARP1 P09874 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
SCHEMBL10235414 0.79 CNR1 (0.39) CNR1RAB9ASCN9AIRAK4TYK2
SCHEMBL564704 0.79 CYP2C9 (0.46) CNR1CYP2C9IRAK4NNMT
SCHEMBL566095 0.77 CNR1 (0.44) CNR1ROCK2RAB9ACYP2C19NNMT
SCHEMBL565689 0.76 CNR1 (0.36) CNR1
SCHEMBL566219 0.75 CNR1 (0.40) CNR1RAB9ACYP2C19IRAK4NNMT
SCHEMBL566220 0.74 CNR1 (0.42) CNR1RAB9ACYP2C19SCN9AIRAK4
SCHEMBL564801 0.73 PDE4A (0.37) CNR1
SCHEMBL565584 0.72 CNR1 (0.40) CNR1IRAK4NNMT
SCHEMBL565827 0.72 CYP2C9 (0.41) CNR1SCN9ACYP2C9IRAK4RPS6KB1
SCHEMBL566114 0.68 CASP1 (0.47) CASP1NNMT

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 CNR1 1409/4885ROCK2 2013/4885RAB9A 525/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885ROCK2 2013/4885RAB9A 525/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885ROCK2 2013/4885RAB9A 525/4885

“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.