SCHEMBL4817764

SCHEMBL4817764

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)OC(=S)CNC(=O)CSCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 10/20 0.38
CES1 P23141 5/20 0.38
PLA2G6 O60733 1/20 0.38
ZDHHC7 Q9NXF8 2/20 0.33
CNR1 P21554 2/20 0.32
DAGLA Q9Y4D2 1/20 0.32
BIRC2 Q13490 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL5410821 0.76 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL5407498 0.74 CES2 (0.37) CES2GMNNTP53POLBMAPT
SCHEMBL6263399 0.74 FAAH (0.37) MAPTFAAH
SCHEMBL10766442 0.72 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL6266157 0.72 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL15341568 0.71 CES2 (0.58) CES2GMNNTP53POLBMAPT
SCHEMBL5407492 0.70 CES2 (0.53) CES2GMNNTP53POLBMAPT
SCHEMBL9879638 0.69 CES2 (0.55) CES2GMNNTP53POLBMAPT
SCHEMBL6263282 0.69 CES2 (0.51) CES2GMNNTP53POLBMAPT
SCHEMBL30307640 0.69 LMNA (0.40) MAPTFAAHZDHHC7

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 12 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
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
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-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 CES2 1719/4885GMNN 206/4885TP53 4498/4885
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof FASN, FFAR1, PLIN5 CES2 1287/4885GMNN 4750/4885TP53 1349/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 CES2 1234/4885GMNN 574/4885TP53 4157/4885

“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.