SCHEMBL2687657

SCHEMBL2687657

O=C(C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.68
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
KDM4E B2RXH2 2/20 0.42
OR51E2 Q9H255 1/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TOP1 P11387 1/20 0.31

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
SCHEMBL30110431 0.91 PDE4A (0.58) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29206786 0.90 PDE4A (0.62) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL7637773 0.90 PDE4A (0.62) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL5368414 0.89 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29944256 0.89 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL27494780 0.89 PDE4A (0.56) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL17144675 0.87 PDE4A (0.67) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL28350552 0.87 PDE4A (0.67) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL29356160 0.87 PDE4A (0.67) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL8343201 0.87 PDE4A (0.67) PDE4ALMNAL3MBTL1TDP1USP2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112180007-B Metabonomics-based diagnosis marker for generalized pustular psoriasis and application thereof 上海市皮肤病医院 2023-08-18 CN disclosed
US-10646594-B2 Deuterated metabolic water precursor for detecting and treating diseased tissue CASE WESTERN RESERVE UNIVERSITY (US) 2020-05-12 US disclosed
US-10466253-B2 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-11-05 US disclosed
US-20180259531-A1 MEASUREMENT OF MOLECULAR FLUX RATES BY QUANTIFYING ISOTOPOLOGUE ABUNDANCES USING HIGH RESOLUTION MASS SPECTROMETRY KINEMED, INC. (US) 2018-09-13 US disclosed
US-20170350903-A1 MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-07 US disclosed
US-9778268-B2 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-03 US disclosed
US-9720002-B2 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-01 US disclosed
US-9043159-B2 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-26 US disclosed
US-9037417-B2 Molecular flux rates through critical pathways measured by stable isotope labeling In Vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-05-19 US disclosed
US-20140295485-A1 MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-02 US disclosed
US-8401800-B2 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-19 US disclosed
US-20120115127-A1 MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-10 US disclosed
US-20100322865-A1 DEUTERATED METABOLIC WATER PRECURSOR FOR DETECTING AND TREATING DISEASED TISSUE CASE WESTERN RESERVE UNIVERSITY 2010-12-23 US disclosed
US-20100041082-A1 METHODS FOR DETERMINING THE METABOLISM OF SUGARS AND FATS IN AN INDIVIDUAL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-18 US disclosed
US-7504233-B2 Methods for determining the metabolism of sugars and fats in an individual THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-17 US disclosed
US-20060280682-A1 Monitoring two dimensions of diabetes pathogenesis seperately or concurrently (insulin sensitivity and beta-cell sufficiency): uses in diagnosis, prognosis, assessment of disease risk, and drug development THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-14 US disclosed
US-20060020440-A1 Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US disclosed
US-20050238577-A1 Isolation of epithelial cells or their biochemical contents from excreta after in vivo isotopic labeling THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-27 US disclosed
US-20050202406-A1 Method for high-throughput screening of compounds and combinations of compounds for discovery and quantification of actions, particularly unanticipated therapeutic or toxic actions, in biological systems THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-15 US disclosed
US-20040115131-A1 Deuterated glucose or fat tolerance tests for high-throughput measurement of the metabolism of sugars or fatty acids in the body THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-06-17 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 (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-20120115127-A1 MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY GOT2, PC, PCK2 PDE4A 2996/4885LMNA 3510/4885L3MBTL1 3694/4885
US-20050238577-A1 Isolation of epithelial cells or their biochemical contents from excreta after in vivo isotopic labeling KLK3, MKI67, KRT18 PDE4A 3796/4885LMNA 1374/4885L3MBTL1 1215/4885

“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.