SCHEMBL931027

SCHEMBL931027

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
FOLH1 Q04609 1/20 0.41
HDAC3 O15379 12/20 0.41
HDAC1 Q13547 12/20 0.41
HDAC2 Q92769 12/20 0.41
HDAC10 Q969S8 12/20 0.41
HDAC11 Q96DB2 12/20 0.41
HDAC8 Q9BY41 12/20 0.41
HDAC6 Q9UBN7 12/20 0.41
HDAC4 P56524 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC9 Q9UKV0 9/20 0.41
HDAC5 Q9UQL6 9/20 0.41
POLB P06746 2/20 0.36
GRK2 P25098 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 2/20 0.35

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
SCHEMBL929281 0.94 ALDH1A1 (0.52) ALDH1A1FOLH1HDAC3HDAC1HDAC2
SCHEMBL930303 0.85 ALDH1A1 (0.45) ALDH1A1POLBGRK2L3MBTL1MEN1
SCHEMBL20470183 0.80 ALDH1A1 (0.47) ALDH1A1FOLH1HDAC3HDAC1HDAC2
SCHEMBL9649601 0.80 ALDH1A1 (0.50) ALDH1A1FOLH1HDAC3HDAC1HDAC2
SCHEMBL13920753 0.79 ALDH1A1 (0.53) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL19115870 0.77 HDAC3 (0.48) ALDH1A1FOLH1HDAC3HDAC1HDAC2
SCHEMBL929301 0.76 ALDH1A1 (0.39) ALDH1A1L3MBTL1
SCHEMBL13753136 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19116304 0.73 HSP90AA1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL23640408 0.72

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 3512/4885FOLH1 499/4885HDAC3 490/4885

“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.