SCHEMBL4813833

SCHEMBL4813833

CCCCCCCCCCCCCCCC(=S)C(O)C(O)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DUSP3 P51452 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL28292108 0.87 LMNA (0.39) LMNACYP2D6KDM4EMAPTSPHK1
SCHEMBL11587478 0.79 MAPT (0.46) LMNACYP2D6KDM4EMAPTSPHK1
E968 SCHEMBL2835144 0.78 CES2 (0.43) LMNACYP2D6KDM4EMAPTSPHK1
SCHEMBL16858613 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL9056653 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL378473 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL18339530 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL14777584 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL19357245 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL235095 0.76 CES2 (0.53) LMNAKDM4EMAPTMEN1KMT2A

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 LMNA 4519/4885CYP2D6 4502/4885KDM4E 4174/4885
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof FASN, FFAR1, PLIN5 LMNA 239/4885CYP2D6 3058/4885KDM4E 1096/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 LMNA 4213/4885CYP2D6 3775/4885KDM4E 3651/4885

“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.