SCHEMBL929302

SCHEMBL929302

NC(=O)C(CCCS)NC(=O)CCS

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.43
GNPAT O15228 1/20 0.40
C3AR1 Q16581 1/20 0.36
FOLH1 Q04609 3/20 0.35
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
ALB P02768 1/20 0.33
TLR2 O60603 1/20 0.33
ENPEP Q07075 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKACA P17612 1/20 0.33
AKT3 Q9Y243 1/20 0.33

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
SCHEMBL929619 0.89 NOD1 (0.39) NOD1GNPATFOLH1PTGS1GSTK1
SCHEMBL18104611 0.88 HPGDS (0.44) NOD1GNPATFOLH1TLR2ROCK2
SCHEMBL30440181 0.85 ALB (0.48) NOD1GNPATALBTLR2ROCK2
SCHEMBL31626331 0.85 ALB (0.48) NOD1GNPATALBTLR2ROCK2
SCHEMBL18106098 0.84 MMP12 (0.47) NOD1GNPATFOLH1PTGS1GSTK1
Formic Acid SCHEMBL29057396 0.82 NOD1 (0.42) NOD1TLR2
SCHEMBL929549 0.82 PTGS1 (0.41) NOD1GNPATFOLH1PTGS1GSTK1
Formic Acid SCHEMBL30439638 0.80 ALB (0.45) NOD1ALBTLR2ROCK2PRKACA
SCHEMBL11112082 0.80 FNTA (0.48) NOD1
SCHEMBL17919599 0.78 ALB (0.48) NOD1ALBTLR2ROCK2PRKACA

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 3899/4885C3AR1 3134/4885

“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.