SCHEMBL5407679

SCHEMBL5407679

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SERPINE1 P05121 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSK P43235 4/20 0.37
CTSS P25774 1/20 0.37
CAPN1 P07384 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LPAR1 Q92633 1/20 0.35
FAAH O00519 1/20 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
SCHEMBL5408248 0.78 MEN1 (0.41) TDP1CA12CA1CA2CA9
SCHEMBL5690099 0.78 ALDH1A1 (0.63) LMNAALDH1A1LPAR1TLR2
SCHEMBL5689676 0.78 ALDH1A1 (0.63) LMNAALDH1A1LPAR1TLR2
SCHEMBL5690133 0.78 ALDH1A1 (0.63) LMNAALDH1A1LPAR1TLR2
SCHEMBL5407675 0.75 CES2 (0.41) TDP1SERPINE1CA12CA1CA2
SCHEMBL28469830 0.74 CTSK (0.38) TDP1CA12CA1CA2CA9
SCHEMBL20147044 0.74 PRKCA (0.47) MAPTLMNAALDH1A1LPAR1FAAH
SCHEMBL5465569 0.74 MEN1 (0.37) TDP1SERPINE1CA12CA1CA2
SCHEMBL24470524 0.73 TLR2 (0.61) LPAR1TLR2
SCHEMBL30503013 0.73 TLR2 (0.61) LPAR1TLR2

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 6 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
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF 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 TDP1 3291/4885SERPINE1 2387/4885CA12 1421/4885
US-20060035977-A1 Uses of acylated aminopropanediols and sulphur and nitrogen analogues of same f ASS1, SMURF1, SMURF2 TDP1 2448/4885SERPINE1 1582/4885CA12 4687/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 TDP1 1745/4885SERPINE1 3895/4885CA12 3167/4885

“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.