SCHEMBL3012891

SCHEMBL3012891

CC(C)(C)OC(=O)ON(CCN)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL20383538 0.81 HDAC6 (0.45) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL9171625 0.79 HDAC6 (0.50) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL18756074 0.79 HDAC6 (0.46) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL8189378 0.76 HDAC6 (0.41) HDAC6HDAC1HDAC2
SCHEMBL28319882 0.75 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL12924143 0.75 CA14 (0.47) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL23752124 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL8307867 0.74 HDAC6 (0.45) HDAC6HDAC1HDAC2
SCHEMBL18712257 0.73 HDAC6 (0.42) HDAC6HDAC1HDAC2CA14
SCHEMBL7245744 0.73 HDAC6 (0.39) HDAC6HDAC1HDAC2L3MBTL1

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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 (2 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC6 552/4885HDAC1 702/4885HDAC2 2374/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC6 552/4885HDAC1 702/4885HDAC2 2374/4885

“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.