SCHEMBL929460

SCHEMBL929460

CC(C)(C)OC(=O)C(CN1C(=O)c2ccccc2C1=O)NO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 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
SCHEMBL6388649 0.87 AKT1 (0.46) ALDH1A1
SCHEMBL6742956 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMMP1MMP2MMP3
SCHEMBL6742954 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMMP1MMP2MMP3
SCHEMBL6738589 0.81 ELANE (0.47) ALDH1A1KMT2AMMP1MMP2MMP3
SCHEMBL6389343 0.81 ELANE (0.47) ALDH1A1KMT2AMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL6971183 0.80 ELANE (0.49) ALDH1A1KMT2AMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL6971175 0.80 ELANE (0.49) ALDH1A1KMT2AMMP1MMP2MMP3
SCHEMBL31649285 0.79 PPARA (0.51) ALDH1A1
SCHEMBL7400672 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1
SCHEMBL6394294 0.76 ITGAV (0.45) ALDH1A1KMT2AMMP2MMP9MAPT

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 ALDH1A1 70/4885KMT2A 1328/4885MMP1 3716/4885

“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.