SCHEMBL1109150

SCHEMBL1109150

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NAMPT P43490 1/20 0.46
ERAP2 Q6P179 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
LNPEP Q9UIQ6 2/20 0.45
CIT O14578 1/20 0.45
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL1109555 0.93 ERAP2 (0.47) BACE1HDAC8HDAC3HDAC4HDAC1
SCHEMBL400779 0.91 ACACB (0.46)
SCHEMBL10286738 0.91 ERAP2 (0.56) BACE1HDAC8HDAC3HDAC4HDAC1
SCHEMBL1109219 0.91 ERAP2 (0.49) HDAC8ERAP2LNPEPNPC1RAB9A
SCHEMBL1109498 0.90 LNPEP (0.57) ERAP2TAAR1LNPEP
SCHEMBL1109501 0.86 AAK1 (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL14400920 0.85 AAK1 (0.57) CIT
SCHEMBL10285898 0.85 AAK1 (0.57) CIT
SCHEMBL1109260 0.85 AAK1 (0.57) CIT
SCHEMBL12064325 0.85 USP30 (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7

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 BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS BACE1 1994/4885HDAC8 2159/4885HDAC3 2114/4885

“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.