SCHEMBL566084

SCHEMBL566084

CC(=O)OCCOc1ccncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.42
NOTUM Q6P988 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
XDH P47989 2/20 0.38
LMNA P02545 1/20 0.37
FGFR4 P22455 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7989284 0.80 SMN1; SMN2 (0.52) PDE4BMEN1KMT2AALDH1A1HPGD
SCHEMBL564715 0.79 ALDH1A1 (0.40) CYP1A2ALDH1A1HPGD
Formic Acid SCHEMBL30601785 0.77 LMNA (0.46) NOTUMCYP1A2CYP3A4XDHLMNA
SCHEMBL7285326 0.77 AAK1 (0.41) PDE4BCYP1A2CYP3A4MEN1KMT2A
SCHEMBL249967 0.76 CA12 (0.49) NOTUMCYP1A2CYP3A4MEN1KMT2A
SCHEMBL23889069 0.75 ALDH1A1 (0.53) ALDH1A1HPGD
SCHEMBL28972458 0.75 NOTUM (0.40) NOTUMCYP1A2CYP3A4XDHLMNA
SCHEMBL22366590 0.75 NOTUM (0.40) NOTUMCYP1A2CYP3A4LMNAFGFR4
SCHEMBL566085 0.73 KDM4E (0.44) PDE4BCYP1A2CYP3A4MEN1KMT2A
SCHEMBL29530667 0.72 ALDH1A1 (0.39) NOTUMCYP1A2MEN1KMT2AALDH1A1

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 936/4885NOTUM 3570/4885CYP1A2 2003/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885NOTUM 3570/4885CYP1A2 2003/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4B 936/4885NOTUM 3570/4885CYP1A2 2003/4885

“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.