SCHEMBL4813181

SCHEMBL4813181

CCCCCCCCCCCCCCOC(C(C)=S)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
MGAM O43451 3/20 0.42
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DNM1 Q05193 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR6 P43657 2/20 0.37
LPAR4 Q99677 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5936415 0.83 SPHK1 (0.51) USP2LPAR1LPAR3LPAR2LPAR6
SCHEMBL6151119 0.83 USP2 (0.43) USP2MGAMLMNAKDM4E
SCHEMBL29249582 0.83 USP2 (0.43) USP2MGAMLMNAKDM4E
SCHEMBL6150703 0.83 USP2 (0.43) USP2MGAMLMNAKDM4E
SCHEMBL4551078 0.81 USP2 (0.41) USP2MGAMALDH1A1CNR1CNR2
SCHEMBL10466712 0.78 MGAM (0.52) USP2MGAMALDH1A1CNR1CNR2
SCHEMBL27592379 0.78 MGAM (0.52) USP2MGAMALDH1A1CNR1CNR2
SCHEMBL8105632 0.78 USP2 (0.42) USP2MGAMALDH1A1DNM1CYP2D6
SCHEMBL7455637 0.78 USP2 (0.42) USP2MGAMALDH1A1DNM1CYP2D6
SCHEMBL8345461 0.77 CES2 (0.44) LMNAKDM4EMAPT

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 14 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
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 USP2 2389/4885MGAM 1819/4885ALDH1A1 3402/4885
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof FASN, FFAR1, PLIN5 USP2 4008/4885MGAM 2415/4885ALDH1A1 1220/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 USP2 1833/4885MGAM 1085/4885ALDH1A1 1482/4885

“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.