SCHEMBL1109105

SCHEMBL1109105

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
MAPT P10636 5/20 0.40

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
SCHEMBL12064336 1.00 HDAC4 (0.45) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL12055984 0.93 CA1 (0.41) HDAC4HDAC1HDAC8CA1CA2
SCHEMBL1105590 0.93 CA1 (0.41) HDAC4HDAC1HDAC8CA1CA2
SCHEMBL1912126 0.88 CA2 (0.51) CA1CA2MMP1MMP3MMP9
SCHEMBL4873479 0.88 MMP1 (0.41) CA1CA2MMP1MMP3MMP9
SCHEMBL4232541 0.88 MMP1 (0.41) CA1CA2MMP1MMP3MMP9
SCHEMBL1105490 0.85 PPARG (0.41) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL402952 0.84 CA1 (0.54) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2875732 0.83 CA2 (0.49) CA1CA2MMP1MMP3MMP9
SCHEMBL2875736 0.83 CA2 (0.49) CA1CA2MMP1MMP3MMP9

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 8 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-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-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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 (5 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 HDAC4 1820/4885HDAC1 824/4885HDAC8 2159/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885HDAC8 2159/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885HDAC8 2159/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885HDAC8 2159/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HDAC4 1820/4885HDAC1 824/4885HDAC8 2159/4885

“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.