SCHEMBL2189336

SCHEMBL2189336

CN(CC(=O)OCc1ccccc1)C(=N)N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SLC15A1 P46059 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PLAU P00749 1/20 0.42

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
Hydrochloric Acid SCHEMBL2190990 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL27836744 0.82 TSHR (0.43) ALDH1A1MAPK1MAPTHPGDCA1
SCHEMBL21814404 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL3117085 0.81 CA1 (0.40) ALDH1A1L3MBTL1KMT2ACA1CA2
SCHEMBL16285813 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1MAPTHPGD
Hydrochloric Acid SCHEMBL11681830 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377212 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19726788 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL14586581 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377215 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2011-09-15 US claimed
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US claimed
US-20080254198-A1 Method of Preparing Creatine Ester Salts and Uses Thereof BIO-ENGINEERED SUPPLEMENTS & NUTRITION, INC. (US) 2008-10-16 US claimed
EP-1324760-B1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS UNIV NEBRASKA (US) 2007-06-20 EP claimed
EP-1688139-A1 Creatine ester pronutrient compounds and formulations Board of Regents of the University of Nebraska (US) 2006-08-09 EP claimed
EP-1324760-A4 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS REGENTS OFTHE UNIVERSITY OF NE (US) 2005-08-10 EP claimed
WO-2004071406-A2 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-08-26 WO claimed
US-20030212130-A1 Creatine ester anti-inflammatory compounds and formulations NEBRASKA, UNIVERSITY OF MEDICAL CENTER 2003-11-13 US claimed
US-20030212136-A1 Creatine ester pronutrient compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-13 US claimed
EP-1324760-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS Board of Regents of the University of Nebraska (US) 2003-07-09 EP claimed
WO-2002022135-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2002-03-21 WO 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-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-08-15 US disclosed
US-10206897-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-02-19 US disclosed
US-10206897-B2 Creatine ester anti-inflammatory compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2019-02-19 US disclosed
WO-2004071406-A2 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2004-08-26 WO disclosed
US-20030212130-A1 Creatine ester anti-inflammatory compounds and formulations NEBRASKA, UNIVERSITY OF MEDICAL CENTER 2003-11-13 US disclosed
US-20030212136-A1 Creatine ester pronutrient compounds and formulations BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-13 US disclosed
EP-1324760-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS Board of Regents of the University of Nebraska (US) 2003-07-09 EP disclosed
WO-2002022135-A1 CREATINE ESTER PRONUTRIENT COMPOUNDS AND FORMULATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2002-03-21 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 (6 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-20030212130-A1 Creatine ester anti-inflammatory compounds and formulations CKMT1A; CKMT1B, CPT1B, CRAT ALDH1A1 2004/4885MAPK1 1012/4885L3MBTL1 4330/4885
US-20190247354-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT ALDH1A1 2004/4885MAPK1 1012/4885L3MBTL1 4330/4885
US-10206897-B2 Creatine ester anti-inflammatory compounds and formulations CKMT1A; CKMT1B, CPT1B, CRAT ALDH1A1 2004/4885MAPK1 1012/4885L3MBTL1 4330/4885
US-20110224174-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT ALDH1A1 2004/4885MAPK1 1012/4885L3MBTL1 4330/4885
US-20030212136-A1 Creatine ester pronutrient compounds and formulations CKMT1A; CKMT1B, CPT1B, PYGM ALDH1A1 2841/4885MAPK1 3183/4885L3MBTL1 3421/4885
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT ALDH1A1 2004/4885MAPK1 1012/4885L3MBTL1 4330/4885

“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.