SCHEMBL399384

SCHEMBL399384

O=C(O)[C@H]1[C@H](O)CCN1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MGLL Q99685 1/20 0.49
HRH3 Q9Y5N1 2/20 0.45
PDE4B Q07343 1/20 0.45
EPHX2 P34913 8/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
LIPE Q05469 1/20 0.42
FAAH O00519 1/20 0.42
KDM2B Q8NHM5 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
PREP P48147 1/20 0.41
GHSR Q92847 1/20 0.41

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
SCHEMBL12064387 1.00 HSD11B1 (0.50) HSD11B1MGLLHRH3PDE4BEPHX2
SCHEMBL1109146 1.00 HSD11B1 (0.50) HSD11B1MGLLHRH3PDE4BEPHX2
SCHEMBL2692091 0.88 MMP13 (0.47) HSD11B1MGLLHRH3PDE4BEPHX2
SCHEMBL9903924 0.88 MMP13 (0.47) HSD11B1MGLLHRH3PDE4BEPHX2
SCHEMBL203227 0.88 MMP13 (0.47) HSD11B1MGLLHRH3PDE4BEPHX2
SCHEMBL1909477 0.82 GAA (0.58) HSD11B1
SCHEMBL1109081 0.81 CHRM2 (0.45) HSD11B1MGLLEPHX2LIPEFAAH
SCHEMBL12064329 0.81 CHRM2 (0.45) HSD11B1MGLLEPHX2LIPEFAAH
SCHEMBL1105484 0.81 CHRM2 (0.45) HSD11B1MGLLEPHX2LIPEFAAH
SCHEMBL9925879 0.80 CHRM4 (0.43) HRH3PDE4BEPHX2PTGDR2FAAH

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS HSD11B1 710/4885MGLL 749/4885HRH3 4195/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 HSD11B1 2660/4885MGLL 392/4885HRH3 4165/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HSD11B1 664/4885MGLL 652/4885HRH3 4192/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HSD11B1 710/4885MGLL 749/4885HRH3 4195/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS HSD11B1 710/4885MGLL 749/4885HRH3 4195/4885

“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.