SCHEMBL5408248

SCHEMBL5408248

CCCCCCCCCCCCCCCC(=S)SC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
CTSK P43235 5/20 0.40
CTSS P25774 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
SYK P43405 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35

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
SCHEMBL5465569 0.91 MEN1 (0.37) MEN1KMT2AGAATDP1CTSK
SCHEMBL5408240 0.79 CES2 (0.42) MEN1KMT2AGAATDP1CTSK
SCHEMBL5407679 0.78 TDP1 (0.40) MEN1KMT2AGAATDP1CTSK
SCHEMBL22684548 0.75 NOD1 (0.55) MEN1KMT2AGAACTSKCTSS
SCHEMBL5403745 0.75 MEN1 (0.44) MEN1KMT2AGAATDP1CTSK
SCHEMBL13109032 0.74 MEN1 (0.60) MEN1KMT2AGAATDP1CTSK
SCHEMBL17079761 0.74 MEN1 (0.60) MEN1KMT2AGAATDP1CTSK
SCHEMBL25867173 0.73 MEN1 (0.46) MEN1KMT2AGAATDP1CTSK
SCHEMBL23588053 0.72 TDP1 (0.47) MEN1KMT2AGAATDP1CTSK
SCHEMBL11981953 0.72 PRKCA (0.46) KMT2ATDP1LMNAALDH1A1PPARG

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 8 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-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-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 3438/4885KMT2A 2064/4885GAA 2248/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 MEN1 1645/4885KMT2A 1894/4885GAA 3346/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 MEN1 2806/4885KMT2A 3188/4885GAA 425/4885

“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.