SCHEMBL403994

SCHEMBL403994

O=C(NC(C(=O)NO)C(O)c1ccccc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TLR7 Q9NYK1 1/20 0.44
MAPK14 Q16539 1/20 0.43
TRPV1 Q8NER1 4/20 0.43
HDAC3 O15379 1/20 0.43
APP P05067 1/20 0.43
ACHE P22303 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KLKB1 P03952 1/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 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
SCHEMBL13654310 0.83 PPARG (0.49) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL404729 0.83 PPARG (0.49) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL403847 0.83 PPARG (0.49) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL403655 0.81 HPGDS (0.59) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL403690 0.80 PPARG (0.46) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL4449993 0.79 TRPV1 (0.46) TLR7TRPV1HDAC3HDAC1HDAC2
SCHEMBL4449988 0.79 TRPV1 (0.46) TLR7TRPV1HDAC3HDAC1HDAC2
SCHEMBL400807 0.77 ACACB (0.50)
SCHEMBL13266956 0.76 PPARG (0.46) TLR7TRPV1HDAC3HDAC1HDAC2
SCHEMBL2843733 0.75 TRPV1 (0.60) TRPV1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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-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 (3 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 CA1 4246/4885CA2 3457/4885TLR7 1079/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CA1 4246/4885CA2 3457/4885TLR7 1079/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CA1 4246/4885CA2 3457/4885TLR7 1079/4885

“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.