Sugi Predict

Sugi Predict / Compounds / SCHEMBL10186952

SCHEMBL10186952

SCHEMBL10186952

[C-]#[N+]c1cc(Cl)c(Cl)nc1OCCOC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL10186946 0.83 PDE4B (0.43) PDE4APDE4BALDH1A1CYP2C9
SCHEMBL10186925 0.78 PDE4A (0.34) HPGDPDE4APDE4BTDP1MEN1
SCHEMBL10186958 0.76 PDE4B (0.37) HPGDPDE4APDE4BTDP1MEN1
SCHEMBL565703 0.75 PDE4B (0.54) HPGDPDE4APDE4BTDP1MAPT
SCHEMBL564704 0.73 CYP2C9 (0.46) HPGDPDE4APDE4BGRM4CYP2C9
SCHEMBL10186910 0.72 PDE4B (0.73) PDE4APDE4B
SCHEMBL10186975 0.72 PDE4B (0.54) PDE4APDE4B
SCHEMBL10186957 0.72 PDE4B (0.75) PDE4APDE4B
SCHEMBL10186982 0.72 PDE4B (0.50) PDE4APDE4B
SCHEMBL10186963 0.71 PDE4B (0.74) PDE4APDE4B

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 HPGD 2037/4885PDE4A 1744/4885PDE4B 936/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HPGD 2037/4885PDE4A 1744/4885PDE4B 936/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 HPGD 2037/4885PDE4A 1744/4885PDE4B 936/4885

“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.