Sugi Predict

Sugi Predict / Compounds / SCHEMBL566095

SCHEMBL566095

SCHEMBL566095

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ PDE4B Q07343 5/20 0.38
▸ PDE4A P27815 4/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NNMT P40261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ PARP1 P09874 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 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
SCHEMBL566199 0.86 SCN9A (0.40) CNR1PDE4BPDE4AMEN1KMT2A
SCHEMBL564704 0.80 CYP2C9 (0.46) CNR1PDE4BPDE4ANNMT
SCHEMBL566219 0.79 CNR1 (0.40) CNR1NNMTRAB9ACYP2C19
SCHEMBL566220 0.78 CNR1 (0.42) CNR1NNMTRAB9ACYP2C19
SCHEMBL566051 0.77 PDE4B (0.57) CNR1PDE4BPDE4APDE3BPDE3A
SCHEMBL566172 0.77 CNR1 (0.39) CNR1NNMTRAB9APARP1CYP2C19
SCHEMBL10186958 0.77 PDE4B (0.37) PDE4BPDE4AMEN1KMT2AALDH1A1
SCHEMBL10235414 0.77 CNR1 (0.39) CNR1PDE4BPDE4ARAB9APARP1
SCHEMBL565584 0.75 CNR1 (0.40) CNR1PDE4BPDE4AMEN1KMT2A
SCHEMBL565689 0.72 CNR1 (0.36) CNR1

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 1409/4885PDE4B 936/4885PDE4A 1744/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885PDE4B 936/4885PDE4A 1744/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 CNR1 1409/4885PDE4B 936/4885PDE4A 1744/4885

“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.