SCHEMBL930389

SCHEMBL930389

NC(CS)C(=O)NCCCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.50
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
PGGT1B P53609 2/20 0.48
RRM1 P23921 1/20 0.46
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
ALDH1A2 O94788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1A3 P47895 1/20 0.42
MMP2 P08253 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
HDAC3 O15379 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
SCHEMBL930618 0.94 DPP7 (0.47) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL928972 0.85 PTGS1 (0.46) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL931596 0.85 PTGS1 (0.46) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL928798 0.85 PTGS1 (0.46) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL18807791 0.85 FNTA (0.48) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL5558059 0.85 FNTA (0.48) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL2452784 0.85 GNAI3 (0.61) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL29234069 0.84 DPP7 (0.51) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL5654571 0.83 DPP7 (0.69) DPP7FNTAFNTBPGGT1BRRM1
SCHEMBL9491467 0.83 DPP7 (0.69) DPP7FNTAFNTBPGGT1BRRM1

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 DPP7 4234/4885FNTA 3075/4885FNTB 2747/4885

“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.