SCHEMBL928972

SCHEMBL928972

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
MMP2 P08253 1/20 0.45
FNTA P49354 4/20 0.41
FNTB P49356 4/20 0.41
PGGT1B P53609 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
RRM1 P23921 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL931596 1.00 PTGS1 (0.46) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL928798 1.00 PTGS1 (0.46) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL930618 0.87 DPP7 (0.47) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL930389 0.85 DPP7 (0.50) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL9059858 0.84 MEN1 (0.52) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL15862124 0.84 MEN1 (0.52) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL19385712 0.84 MMP2 (0.47) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL9059863 0.84 MEN1 (0.52) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL2779271 0.83 DPP7 (0.52) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL22767411 0.83 DPP7 (0.52) PTGS1SLC7A11MMP2FNTAFNTB

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 PTGS1 3948/4885SLC7A11 3750/4885MMP2 1792/4885

“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.