SCHEMBL404950

SCHEMBL404950

CCc1ccc(-c2ccc(C(=O)N[C@@H](CNC(C)=O)C(=O)NO)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TAOK1 Q7L7X3 3/20 0.45
TAOK3 Q9H2K8 2/20 0.45
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44
CTSL P07711 1/20 0.43
HDAC3 O15379 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL1105502 1.00 TAS1R3 (0.47) TAS1R3TAS1R1L3MBTL1HDAC1HDAC6
SCHEMBL404639 0.89 L3MBTL1 (0.48) TAS1R3TAS1R1L3MBTL1HDAC1HDAC6
SCHEMBL403167 0.87 TAS1R3 (0.44) TAS1R3TAS1R1L3MBTL1HDAC1HDAC6
SCHEMBL405285 0.87 TAS1R3 (0.44) TAS1R3TAS1R1L3MBTL1HDAC1HDAC6
SCHEMBL1105497 0.87 TAS1R3 (0.44) TAS1R3TAS1R1L3MBTL1HDAC1HDAC6
SCHEMBL404672 0.86 TAS1R3 (0.48) TAS1R3TAS1R1L3MBTL1TAOK1TAOK3
SCHEMBL12056005 0.86 TAS1R3 (0.48) TAS1R3TAS1R1L3MBTL1TAOK1TAOK3
SCHEMBL400843 0.85 TAS1R3 (0.47) TAS1R3TAS1R1L3MBTL1TAOK1TAOK3
SCHEMBL403129 0.84 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1TAOK1TAOK3
SCHEMBL404390 0.84 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1TAOK1TAOK3

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 45 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-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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 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
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 (4 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 TAS1R3 4169/4885TAS1R1 3477/4885L3MBTL1 2665/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 TAS1R3 3989/4885TAS1R1 3724/4885L3MBTL1 2508/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TAS1R3 4086/4885TAS1R1 3410/4885L3MBTL1 2488/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885L3MBTL1 2665/4885

“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.