Sugi Predict

Sugi Predict / Compounds / SCHEMBL565839

SCHEMBL565839

SCHEMBL565839

COCC(COc1nc(Cl)c(Cl)cc1C#N)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.56
▸ PDE4B Q07343 6/20 0.56
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CRHR1 P34998 2/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL565703 0.76 PDE4B (0.54) PDE4APDE4BTDP1MAPTKDM4E
SCHEMBL33525760 0.75 L3MBTL1 (0.49) TDP1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL566051 0.71 PDE4B (0.57) PDE4APDE4BTDP1MAPTKDM4E
SCHEMBL564801 0.70 PDE4A (0.37) PDE4APDE4BTDP1MAPTKDM4E
SCHEMBL10235411 0.70 PDE4A (0.54) PDE4APDE4BTDP1MAPTKDM4E
SCHEMBL10235413 0.66 PDE4B (0.53) PDE4APDE4BTDP1MAPTKDM4E
SCHEMBL566195 0.64 KHK (0.52) TDP1KDM4EGAAALDH1A1MAPK1
SCHEMBL30232391 0.64 KHK (0.52) TDP1KDM4EGAAALDH1A1MAPK1
SCHEMBL566092 0.63 PDE4B (0.46) PDE4APDE4BKDM4EGAACNR1
SCHEMBL11387117 0.63 NPSR1 (0.49) TDP1KDM4EL3MBTL1GAAALDH1A1

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 PDE4A 1744/4885PDE4B 936/4885TDP1 3002/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885TDP1 3002/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 PDE4A 1744/4885PDE4B 936/4885TDP1 3002/4885

“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.