SCHEMBL929035

SCHEMBL929035

N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
GSTK1 Q9Y2Q3 1/20 0.72
NOD1 Q9Y239 8/20 0.52
ACE P12821 1/20 0.47
FOLH1 Q04609 3/20 0.46
GLO1 Q04760 1/20 0.46
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 1/20 0.44
ALOX15 P16050 2/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM8 O00222 1/20 0.43

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
SCHEMBL15420876 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL121501 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL27709907 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL121500 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL2509561 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL9347287 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL15420877 0.94 PTGS1 (0.70) PTGS1GSTK1NOD1FOLH1GLO1
SCHEMBL15704556 0.93 PTGS1 (0.63) PTGS1GSTK1NOD1ACEFOLH1
SCHEMBL929863 0.93 PTGS1 (0.67) PTGS1GSTK1NOD1ACEFOLH1
SCHEMBL6765269 0.93 PTGS1 (0.67) PTGS1GSTK1NOD1ACEFOLH1

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 9 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-20140120233-A1 Method for Producing Lanthionine Derivative AJINOMOTO CO., INC. (JP) 2014-05-01 US disclosed
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 (2 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 PTGS1 3948/4885GSTK1 2216/4885NOD1 4684/4885
US-20140120233-A1 Method for Producing Lanthionine Derivative CASR, KCNJ5, CASK PTGS1 1891/4885GSTK1 1639/4885NOD1 766/4885

“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.