SCHEMBL930050

SCHEMBL930050

O=C(CCCS)N[C@H](CCS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.51
GNPAT O15228 1/20 0.49
FOLH1 Q04609 4/20 0.44
FNTA P49354 3/20 0.44
FNTB P49356 3/20 0.44
PGGT1B P53609 1/20 0.44
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
C3AR1 Q16581 1/20 0.40
EPHX2 P34913 1/20 0.40
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39

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
SCHEMBL930049 1.00 NOD1 (0.51) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL28735998 0.89 GNPAT (0.54) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL29767070 0.89 GNPAT (0.54) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL928640 0.88 GNPAT (0.47) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL4649464 0.87 SLC6A5 (0.51) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL4649465 0.87 SLC6A5 (0.51) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL929531 0.86 KDM4E (0.53) NOD1GNPATFOLH1FNTAFNTB
SCHEMBL20553085 0.86 NOD1 (0.71) NOD1SLC6A5EPHX2
SCHEMBL8964448 0.86 NOD1 (0.71) NOD1SLC6A5EPHX2
SCHEMBL9752285 0.85 GNPAT (0.62) NOD1GNPATFOLH1RIMKLANAALAD2

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-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US claimed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith L'OREAL S.A. (FR) 2006-01-19 US claimed
EP-1584615-A1 Use of dimercaptoamides for permanently deforming of keratinic fibres L'OREAL (FR) 2005-10-12 EP claimed
US-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US disclosed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP disclosed
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith L'OREAL S.A. (FR) 2006-01-19 US disclosed
EP-1584615-A1 Use of dimercaptoamides for permanently deforming of keratinic fibres L'OREAL (FR) 2005-10-12 EP 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 (1 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-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith KRT18, CKAP4, S100A4 NOD1 4684/4885GNPAT 3899/4885FOLH1 499/4885

“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.