SCHEMBL928640

SCHEMBL928640

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.47
FOLH1 Q04609 3/20 0.47
NOD1 Q9Y239 3/20 0.46
RIMKLA Q8IXN7 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
GSTK1 Q9Y2Q3 1/20 0.41
FNTA P49354 4/20 0.40
FNTB P49356 4/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL4156554 0.88 FOLH1 (0.62) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL9752284 0.88 GNPAT (0.62) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL9752287 0.88 GNPAT (0.62) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL4156556 0.88 FOLH1 (0.62) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL930050 0.88 NOD1 (0.51) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL9752285 0.88 GNPAT (0.62) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL930049 0.88 NOD1 (0.51) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL9453832 0.86 GNPAT (0.44) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL787096 0.86 NOD1 (0.54) GNPATFOLH1NOD1RIMKLANAALAD2
SCHEMBL787095 0.86 NOD1 (0.54) GNPATFOLH1NOD1RIMKLANAALAD2

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 GNPAT 3899/4885FOLH1 499/4885NOD1 4684/4885

“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.