SCHEMBL10186958

SCHEMBL10186958

[C-]#[N+]c1cc(Cl)c(Cl)nc1OCCCC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.37
PDE4A P27815 5/20 0.37
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
TNF P01375 1/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP1 Q9C000 1/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL10186951 0.84 PDE4B (0.46) PDE4BPDE4A
SCHEMBL566095 0.77 CNR1 (0.44) PDE4BPDE4APDE3BPDE3AP2RY12
SCHEMBL566051 0.76 PDE4B (0.57) PDE4BPDE4APDE3BPDE3AP2RY12
SCHEMBL10186952 0.76 HPGD (0.37) PDE4BPDE4AHPGDTSHRTDP1
SCHEMBL10186912 0.75 PDE4B (0.73) PDE4BPDE4A
SCHEMBL10186969 0.74 PDE4B (0.54) PDE4BPDE4A
SCHEMBL10186909 0.74 PDE4B (0.62) PDE4BPDE4A
SCHEMBL10186961 0.73 PDE4B (0.75) PDE4BPDE4A
SCHEMBL10186925 0.73 PDE4A (0.34) PDE4BPDE4AHPGDTSHRTDP1
SCHEMBL10186964 0.73 PDE4B (0.74) PDE4BPDE4A

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 6 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

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 PDE4B 936/4885PDE4A 1744/4885PDE3B 1577/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE3B 1577/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885PDE4A 1744/4885PDE3B 1577/4885

“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.