SCHEMBL1109112

SCHEMBL1109112

NC[C@H](NC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
CTSB P07858 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
CA9 Q16790 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 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
SCHEMBL27518156 1.00 CTSL (0.50) CTSLCTSSCTSKHDAC3HDAC1
SCHEMBL7462967 1.00 CTSL (0.50) CTSLCTSSCTSKHDAC3HDAC1
SCHEMBL401441 0.92 HPGDS (0.54) CTSSCTSKHDAC3HDAC1HDAC7
SCHEMBL401005 0.92 HPGDS (0.54) CTSSCTSKHDAC3HDAC1HDAC7
SCHEMBL13267395 0.88 HDAC1 (0.58) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL398571 0.87
SCHEMBL1109400 0.87 CTSB (0.47) CTSSCTSKCTSB
SCHEMBL438972 0.85
SCHEMBL30743610 0.84 SLC1A2 (0.54) CA1IDO1SLC1A2
SCHEMBL7411072 0.83 CTSB (0.57) HDAC3HDAC1HDAC7HDAC2HDAC8

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 11 patents. 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-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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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-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

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 CTSL 127/4885CTSS 300/4885CTSK 430/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885CTSK 430/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885CTSK 430/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885CTSK 430/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885CTSK 430/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CTSL 127/4885CTSS 300/4885CTSK 430/4885

“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.