SCHEMBL5408012

SCHEMBL5408012

CCCCCCCCCCCCCCN(C(C)=S)C(CCCCCCCCCCC)CCCC(=S)SC(CC)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.32
ALB P02768 1/20 0.32
HDAC6 Q9UBN7 5/20 0.32
HDAC8 Q9BY41 6/20 0.31
HDAC3 O15379 4/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
PRSS1 P07477 2/20 0.31
CTSG P08311 2/20 0.31
CTRB1 P17538 2/20 0.31
CMA1 P23946 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31

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
SCHEMBL5408023 0.72 SIRT2 (0.44) HDAC6SIRT2SIRT1SIRT3
SCHEMBL5403759 0.68 MGLL (0.31)
SCHEMBL9244427 0.63 ALDH1A1 (0.48) PRSS1CTSGCTRB1CMA1
SCHEMBL5415655 0.62 TK1 (0.36) HDAC6
SCHEMBL5409366 0.61 HDAC6 (0.36) HDAC6
SCHEMBL5413265 0.61 HDAC6 (0.34) HDAC6
SCHEMBL11107646 0.60 CSNK1E (0.36) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL11107718 0.60 CSNK1E (0.36) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL11555971 0.59 CSNK1E (0.35) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL6263714 0.59 MGLL (0.36)

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-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO 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 ICMT 494/4885ALB 1546/4885HDAC6 263/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 ICMT 2910/4885ALB 943/4885HDAC6 2391/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 ICMT 1131/4885ALB 1686/4885HDAC6 302/4885

“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.