SCHEMBL5404203

SCHEMBL5404203

CC(=O)SCC(O)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SYK P43405 1/20 0.36
SERPINE1 P05121 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
IDO1 P14902 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1222568 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1SYK
SCHEMBL1222570 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1SYK
SCHEMBL6690055 0.85 MEN1 (0.44) MEN1GAAKMT2ATDP1SYK
SCHEMBL570033 0.82 MEN1 (0.50) MEN1GAAKMT2ATDP1SYK
SCHEMBL30489625 0.81 SYK (0.45) MEN1GAAKMT2ATDP1SYK
SCHEMBL30489735 0.81 SYK (0.45) MEN1GAAKMT2ATDP1SYK
SCHEMBL5410764 0.81 SERPINE1 (0.40) MEN1GAAKMT2ATDP1SYK
SCHEMBL856286 0.80 MEN1 (0.45) MEN1GAAKMT2ATDP1SYK
SCHEMBL2852153 0.80 MEN1 (0.45) MEN1GAAKMT2ATDP1SYK
SCHEMBL2852156 0.80 MEN1 (0.45) MEN1GAAKMT2ATDP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253296-B2 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2007-08-07 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
US-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof GENFIT (FR) 2006-03-30 US disclosed
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f GENTIF (FR) 2006-02-16 US 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-1594486-A2 USES OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME Genfit (FR) 2005-11-16 EP disclosed
EP-1592660-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF Genfit (FR) 2005-11-09 EP disclosed
WO-2004073593-A2 USE OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME FOR DIFFERENT THERAPEUTIC APPLICATIONS GENFIT (FR) 2004-09-02 WO 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-2004074239-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF GENFIT (FR) 2004-09-02 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-20060069156-A1 Acylated aminopropanediols and analogues and therapeutic uses thereof AASDHPPT, ABAT, AADAC MEN1 3438/4885GAA 2248/4885KMT2A 2064/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 MEN1 1645/4885GAA 3346/4885KMT2A 1894/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 MEN1 2806/4885GAA 425/4885KMT2A 3188/4885

“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.