SCHEMBL398539

SCHEMBL398539

C[C@@H](OCc1ccccc1)[C@H](N)C(=O)NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
LTA4H P09960 1/20 0.46
PSMB5 P28074 1/20 0.44
RCE1 Q9Y256 1/20 0.43
CTRB1 P17538 1/20 0.43
LAP3 P28838 1/20 0.42

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
SCHEMBL9925897 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL14195836 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL1105501 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL400567 1.00 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL24815318 0.87 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7284299 0.87 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL5556446 0.87 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL24815315 0.87 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL29178320 0.87 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL21122288 0.86 NPC1 (0.54) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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 29 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
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US 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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (6 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 SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 SLC1A3 3292/4885SLC1A2 3786/4885SLC1A1 3198/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SLC1A3 4072/4885SLC1A2 3990/4885SLC1A1 3344/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SLC1A3 3952/4885SLC1A2 3933/4885SLC1A1 3289/4885

“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.