SCHEMBL929877

SCHEMBL929877

CC(S)C(=O)NCCCCCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A2 O94788 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH1A3 P47895 1/20 0.47
HDAC6 Q9UBN7 10/20 0.43
HDAC3 O15379 8/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
NCOR2 Q9Y618 4/20 0.42

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
SCHEMBL929789 0.98 ALDH1A1 (0.50) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL929760 0.92 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
Propionamide SCHEMBL27630182 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPTGS2TDP1
Propionamide SCHEMBL27611018 0.88 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL26087872 0.84 EPHX1 (0.57) MMP8EPHX1RRM1DPP7
SCHEMBL28510027 0.84 EPHX1 (0.57) MMP8EPHX1RRM1DPP7
SCHEMBL929185 0.83
SCHEMBL9124672 0.82 ALDH1A2 (0.45) ALDH1A1ALDH1A2ALDH2ALDH1A3HDAC6
SCHEMBL928991 0.82 RRM1 (0.45) ALDH1A1ALDH1A2ALDH2ALDH1A3HDAC6
SCHEMBL928482 0.81 ALDH1A2 (0.44) ALDH1A1ALDH1A2ALDH2ALDH1A3HDAC6

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 ALDH1A1 3512/4885LMNA 393/4885MAPT 998/4885

“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.