SCHEMBL929384

SCHEMBL929384

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA14 Q9ULX7 2/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
DGAT1 O75907 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12924143 0.81 CA14 (0.47) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL28319882 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL9901110 0.81 CA14 (0.44) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL6847180 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL34414 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL12924141 0.79 CA14 (0.46) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL505669 0.79 CA14 (0.46) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL24172307 0.78 CA12 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL4061706 0.78 TDP1 (0.42) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL25074829 0.78 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14CA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438448-B1 MASS LABELS, KIT AND METHOD FOR MASS SPECTROMETRY ANALYSIS OF KETONE AND ALDEHYDE ANALYTES DH TECHNOLOGIES DEV PTE LTD (SG) 2020-05-20 EP disclosed
US-10094809-B2 Specific analysis of ketone and aldehyde analytes using reagent compounds, labeling strategies, and mass spectrometry workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-10-09 US disclosed
US-20170115258-A1 SPECIFIC ANALYSIS OF KETONE AND ALDEHYDE ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW DH TECHNOLOGIES DEV PTE LTD (SG) 2017-04-27 US disclosed
US-9500622-B2 Specific analysis of ketone and aldehyde analytes using reagent compounds, labeling strategies, and mass spectrometry workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2016-11-22 US disclosed
US-20140004616-A1 SPECIFIC ANALYSIS OF KETONE AND ALDEHYDE ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2014-01-02 US disclosed
US-20110003395-A1 SPECIFIC ANALYSIS OF ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2011-01-06 US disclosed
WO-2010141075-A1 SPECIFIC ANALYSIS OF KETONE AND ALDEHYDE ANALYTES USING REAGENT COMPOUNDS LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2010-12-09 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 (1 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-20110003395-A1 SPECIFIC ANALYSIS OF ANALYTES USING REAGENT COMPOUNDS, LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW HSD17B7, HSD17B13, HSD11B1 HDAC6 1420/4885HDAC1 2255/4885HDAC2 2021/4885

“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.