SCHEMBL5409366

SCHEMBL5409366

CCCCCCCCCCCCCCN(CC(I)COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=S

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
PLA2G2A P14555 2/20 0.33
KCNH2 Q12809 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL5415655 0.88 TK1 (0.36) HDAC6PLA2G2AKCNH2PLA2G10PLA2G1B
SCHEMBL5413265 0.86 HDAC6 (0.34) HDAC6PLA2G2AKCNH2PLA2G10PLA2G1B
SCHEMBL5409375 0.76 SIRT2 (0.39) HDAC6
SCHEMBL9613862 0.73 ABCB1 (0.41) HDAC6
SCHEMBL5415667 0.70 ASAH1 (0.41) HDAC6
SCHEMBL25251617 0.68 TK1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL25077082 0.68 TK1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL25289454 0.68 TK1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL25077124 0.68 TK1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL25284468 0.68 TK1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5

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 HDAC6 263/4885PLA2G2A 747/4885KCNH2 1710/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 HDAC6 2391/4885PLA2G2A 3301/4885KCNH2 3323/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 HDAC6 302/4885PLA2G2A 757/4885KCNH2 2067/4885

“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.