SCHEMBL929619

SCHEMBL929619

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.39
PTGS1 P23219 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.36
MMP2 P08253 3/20 0.35
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
ENPEP Q07075 2/20 0.35
ANPEP P15144 1/20 0.35
GNPAT O15228 1/20 0.35
MMP13 P45452 1/20 0.33
HPGDS O60760 1/20 0.33
FOLH1 Q04609 1/20 0.31
MMP14 P50281 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31

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
SCHEMBL929302 0.89 NOD1 (0.43) NOD1PTGS1GSTK1MMP2MMP8
SCHEMBL18106098 0.87 MMP12 (0.47) NOD1PTGS1GSTK1MMP2MMP8
SCHEMBL929549 0.86 PTGS1 (0.41) NOD1PTGS1GSTK1MMP2MMP8
SCHEMBL18104611 0.84 HPGDS (0.44) NOD1GNPATHPGDSFOLH1
SCHEMBL11112082 0.83 FNTA (0.48) NOD1CA9
SCHEMBL928640 0.82 GNPAT (0.47) NOD1PTGS1GSTK1GNPATFOLH1
SCHEMBL30440181 0.81 ALB (0.48) NOD1GNPAT
SCHEMBL31626331 0.81 ALB (0.48) NOD1GNPAT
SCHEMBL30706583 0.79 PTGS1 (0.43) NOD1PTGS1GSTK1FOLH1CA1
Formic Acid SCHEMBL29057396 0.79 NOD1 (0.42) NOD1CA1CA2KMT2A

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 4684/4885PTGS1 3948/4885GSTK1 2216/4885

“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.