SCHEMBL404589

SCHEMBL404589

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2cccc([N+](=O)[O-])c2)cc1)C(=O)NO

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL1105523 1.00 S1PR2 (0.46) S1PR2ALDH1A1HSP90AA1MAPTOPRK1
SCHEMBL404588 1.00 S1PR2 (0.46) S1PR2ALDH1A1HSP90AA1MAPTOPRK1
SCHEMBL440373 0.96 HTT (0.45) S1PR2ALDH1A1HSP90AA1MAPTOPRK1
SCHEMBL20299877 0.89 NPC1 (0.46)
SCHEMBL402315 0.89 NPC1 (0.46)
SCHEMBL403123 0.84 HTT (0.47) ALDH1A1MAPTHTT
SCHEMBL402678 0.84
SCHEMBL18712262 0.84
SCHEMBL405089 0.83
SCHEMBL254841 0.83

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 26 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-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP 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-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
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 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-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 (7 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 S1PR2 2943/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 S1PR2 3216/4885ALDH1A1 3069/4885HSP90AA1 257/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS S1PR2 2943/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 S1PR2 2875/4885ALDH1A1 687/4885HSP90AA1 872/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS S1PR2 2943/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS S1PR2 2943/4885ALDH1A1 782/4885HSP90AA1 797/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS S1PR2 2943/4885ALDH1A1 782/4885HSP90AA1 797/4885

“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.