SCHEMBL929571

SCHEMBL929571

CC(C)(CS)C(=O)NC(CS)C(=O)NCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
GRIA1 P42261 6/20 0.46
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
PAOX Q6QHF9 2/20 0.41
CHRND Q07001 6/20 0.40
CHRNA1 P02708 2/20 0.40
CHRNG P07510 2/20 0.40
CHRNB1 P11230 2/20 0.40
TLR2 O60603 1/20 0.38

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
SCHEMBL9167972 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL7619519 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL929126 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL9472559 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL27630023 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL7621165 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL27630114 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL9164359 0.99 SIRT6 (0.45) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL930922 0.99 SIRT6 (0.45) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL9472254 0.97 SIRT6 (0.44) SIRT6SIRT1GRIA1GNAI3GNAO1

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 SIRT6 1272/4885SIRT1 1208/4885GRIA1 4366/4885

“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.