SCHEMBL4813829

SCHEMBL4813829

CCCCCCCCCCCCCCSCC(=O)OC(CO)CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MAPK1 P28482 1/20 0.62
CES2 O00748 3/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRKCA P17252 5/20 0.50
PRKCE Q02156 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCD Q05655 2/20 0.50
FAAH O00519 5/20 0.47
CES1 P23141 4/20 0.47
PLA2G6 O60733 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL972526 0.85 MAPT (0.70) MAPTMAPK1PRKCAPRKCEPRKCQ
SCHEMBL5407620 0.85 CES2 (0.51) MAPTMAPK1CES2GMNNTP53
SCHEMBL6026492 0.84 ALDH1A1 (0.59) MAPTCES2GMNNTP53POLB
Hydrochloric Acid SCHEMBL5403742 0.84 CES2 (0.50) MAPTMAPK1CES2GMNNTP53
Tritetradecylthioacetyl Glycerol SCHEMBL4815254 0.84 ALDH1A1 (0.59) MAPTCES2GMNNTP53POLB
SCHEMBL14178795 0.84 ALDH1A1 (0.59) MAPTCES2GMNNTP53POLB
SCHEMBL27437101 0.83 LMNA (0.59) MAPTMAPK1CES2GMNNTP53
SCHEMBL4813855 0.83 CES2 (0.49) MAPTMAPK1CES2GMNNTP53
SCHEMBL5936361 0.81 ALDH1A1 (0.53) MAPTCES2GMNNTP53POLB
SCHEMBL14207834 0.81 ALDH1A1 (0.53) MAPTCES2GMNNTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US claimed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP claimed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO claimed
US-7375135-B2 Fatty acid derivatives; preparation and uses thereof GENFIT (FR) 2008-05-20 US disclosed
US-7375135-B2 Fatty acid derivatives; preparation and uses thereof GENFIT (FR) 2008-05-20 US disclosed
EP-1673338-B1 FATTY ACID COMPOUNDS, PREPARATION AND USES THEREOF GENFIT (FR) 2007-09-19 EP disclosed
US-20060252827-A1 Therapeutic use of of acyglycerols and the nitrogen-and sulphur-containing analogues thereof GENFIT (FR) 2006-11-09 US disclosed
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US disclosed
EP-1673338-A1 FATTY ACID COMPOUNDS, PREPARATION AND USES THEREOF Genfit (FR) 2006-06-28 EP disclosed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
EP-1587508-A1 THERAPEUTIC USE OF ACYLGLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEREOF Genfit (FR) 2005-10-26 EP disclosed
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof GENFIT (FR) 2004-09-30 US disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed
WO-2004069241-A1 THERAPEUTIC USE OF ACYLGLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEREOF GENFIT (FR) 2004-08-19 WO disclosed
WO-2003014073-A1 FATTY ACID COMPOUNDS, PREPARATION AND USES THEREOF GENFIT (FR) 2003-02-20 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 (3 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-20060252827-A1 Therapeutic use of of acyglycerols and the nitrogen-and sulphur-containing analogues thereof SGMS2, SGMS1, AGK MAPT 2944/4885MAPK1 3891/4885CES2 1719/4885
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof FASN, FFAR1, PLIN5 MAPT 3243/4885MAPK1 866/4885CES2 1287/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 MAPT 725/4885MAPK1 4062/4885CES2 1234/4885

“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.