SCHEMBL930863

SCHEMBL930863

CC(C)(S)C(=O)NCCCCCS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 6/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL930680 0.98 POLB (0.45) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL928969 0.92 POLB (0.41) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL930043 0.83 POLB (0.34) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL930872 0.80 POLB (0.43) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL23432489 0.78 POLB (0.40) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL21666562 0.78 FAAH (0.43) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL23340781 0.77 POLB (0.41) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL930393 0.74 MEN1 (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL25119678 0.74 ALDH1A1 (0.39) MEN1KMT2AEPHX1ALDH1A1POLB
SCHEMBL930867 0.73 POLB (0.40) MEN1KMT2AEPHX1ALDH1A1POLB

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 MEN1 3938/4885KMT2A 1387/4885EPHX1 3077/4885

“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.