SCHEMBL405554

SCHEMBL405554

CCc1ccc(-c2ccc(C(=O)NC(C(=O)NO)C(C)(C)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PLK1 P53350 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TAOK1 Q7L7X3 3/20 0.44
TAOK3 Q9H2K8 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL12361495 0.91 PLK1 (0.48) TAS1R3TAS1R1PLK1ALDH1A1L3MBTL1
SCHEMBL13266884 0.91 EPHX2 (0.44) TAS1R3TAS1R1
SCHEMBL13266959 0.88 MAPT (0.42) TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL405424 0.88 TAS1R3 (0.51) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL10287224 0.86 HPGDS (0.51) ALDH1A1LMNAL3MBTL1TDP1NPC1
SCHEMBL13266885 0.85 ANPEP (0.52) ALDH1A1LMNAHPGDANPEPNPC1
SCHEMBL255220 0.85 NPC1 (0.41) NPC1RAB9A
SCHEMBL13984751 0.85 TAS1R3 (0.51) TAS1R3TAS1R1PLK1ALDH1A1LMNA
SCHEMBL13267487 0.83 HDAC1 (0.51) TAOK1RAB9A
SCHEMBL13266970 0.82 HDAC1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US claimed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP claimed
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS ACHAOGEN, INC. (US) 2012-11-08 US claimed
WO-2011005355-A1 COMBINATIONS COMPRISING A LPXC INHIBITOR AND AN ANTIBIOTIC FOR USE IN THE TREATMENT OF INFECTIONS CAUSED BY GRAM-NEGATIVE BACTERIA ACHAOGEN, INC. (US) 2011-01-13 WO claimed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US claimed
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-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS ACHAOGEN, INC. (US) 2012-11-08 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-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 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-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

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 TAS1R3 4169/4885TAS1R1 3477/4885PLK1 2781/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TAS1R3 4086/4885TAS1R1 3410/4885PLK1 2996/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885PLK1 2781/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 TAS1R3 4086/4885TAS1R1 3410/4885PLK1 2996/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885PLK1 2781/4885
US-20120283175-A1 ANTIBACTERIAL COMPOSITIONS LPXN, LCT, LPO TAS1R3 4539/4885TAS1R1 4547/4885PLK1 1782/4885

“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.