SCHEMBL4137961

SCHEMBL4137961

CN(CC(=O)OCC(O)CO)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
DGKA P23743 1/20 0.38
FAAH O00519 4/20 0.37
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL12261562 0.92 CA1 (0.37) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4586536 0.81 CA1 (0.37) CA1CA2CA12CA9NOS3
SCHEMBL25515999 0.81 NOS3 (0.40) CA1CA2CA12CA9NOS3
SCHEMBL13850903 0.79 ALDH1A1 (0.39) LMNACA1CA2CA12CA9
SCHEMBL6905527 0.79 P2RY10 (0.34) NOS3NOS1NOS2
SCHEMBL19153577 0.79 PRKCA (0.32)
SCHEMBL19152428 0.79 CA1 (0.42) CA1CA2CA12CA9NOS3
SCHEMBL18119724 0.77 NOS3 (0.41) CA1CA2CA12CA9NOS3
SCHEMBL25515864 0.77 CA1 (0.34) CA1CA2CA12CA9NOS3
SCHEMBL18121926 0.77 NOS2 (0.51) KMT2ACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US claimed
US-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-08-15 US disclosed
US-20180153844-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2018-06-07 US disclosed
US-9833427-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-12-05 US disclosed
US-9833427-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-12-05 US disclosed
US-20170202241-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2017-07-20 US disclosed
US-20170202241-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2017-07-20 US disclosed
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-09-15 US disclosed
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-09-15 US disclosed
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2011-07-14 US disclosed
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2011-07-14 US disclosed
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US disclosed
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US disclosed
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2007-08-30 US disclosed
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS VENNERSTROM JONATHAN L 2007-08-30 US disclosed
EP-1324760-B1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS UNIV NEBRASKA (US) 2007-06-20 EP 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 (7 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-20180153844-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT KDM4E 809/4885DUSP3 4181/4885MEN1 4868/4885
US-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT KDM4E 809/4885DUSP3 4181/4885MEN1 4868/4885
US-20170202241-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM KDM4E 835/4885DUSP3 4721/4885MEN1 4148/4885
US-20110172306-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM KDM4E 835/4885DUSP3 4721/4885MEN1 4148/4885
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT KDM4E 809/4885DUSP3 4181/4885MEN1 4868/4885
US-20070203076-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, PYGM KDM4E 835/4885DUSP3 4721/4885MEN1 4148/4885
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT KDM4E 809/4885DUSP3 4181/4885MEN1 4868/4885

“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.