SCHEMBL929382

SCHEMBL929382

CC(NO)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CYP2D6 P10635 1/20 0.47
CTSK P43235 9/20 0.45
CTSS P25774 5/20 0.45
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KMT2A Q03164 3/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3484138 0.86 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL28912472 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL10669928 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL10652 0.81 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL24069882 0.81 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL19441856 0.81 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL23849248 0.80 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1689249 0.80 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL23607312 0.80 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL895110 0.79 CA1 (0.47) CA1CA2CA7CYP2D6CTSK

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 CA1 2175/4885CA2 4559/4885CA7 1400/4885

“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.