SCHEMBL1109263

SCHEMBL1109263

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PPARG P37231 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ANPEP P15144 1/20 0.38

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
SCHEMBL404134 0.91
SCHEMBL12380595 0.90 L3MBTL1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL440987 0.89
SCHEMBL14400807 0.89 CYP1A2 (0.47) PPARGCA2CA1ANPEP
SCHEMBL1109349 0.89 CYP1A2 (0.47) PPARGCA2CA1ANPEP
SCHEMBL1912267 0.84 HDAC1 (0.47) HDAC1LMNAPPARGCA2CA1
SCHEMBL1109514 0.84 PPARG (0.47) HDAC1PPARGANPEP
SCHEMBL1096679 0.84 CA2 (0.42) PPARGCA2CA1ANPEP
SCHEMBL4540293 0.84 HDAC6 (0.53) HDAC3HDAC6PPARGCA2CA1
SCHEMBL1109411 0.83 GRIN1 (0.46) GRIN1GRIN2AHDAC3HDAC4HDAC1

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 GRIN1 3373/4885GRIN2A 4407/4885HDAC3 2114/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS GRIN1 3373/4885GRIN2A 4407/4885HDAC3 2114/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS GRIN1 3373/4885GRIN2A 4407/4885HDAC3 2114/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GRIN1 3373/4885GRIN2A 4407/4885HDAC3 2114/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS GRIN1 3373/4885GRIN2A 4407/4885HDAC3 2114/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS GRIN1 3373/4885GRIN2A 4407/4885HDAC3 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.