SCHEMBL930133

SCHEMBL930133

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.40
HDAC1 Q13547 9/20 0.40
HDAC2 Q92769 9/20 0.40
HDAC10 Q969S8 9/20 0.40
HDAC11 Q96DB2 9/20 0.40
HDAC8 Q9BY41 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
HDAC4 P56524 7/20 0.40
HDAC7 Q8WUI4 7/20 0.40
HDAC9 Q9UKV0 7/20 0.40
HDAC5 Q9UQL6 7/20 0.40
KMT2A Q03164 3/20 0.36
NOD1 Q9Y239 1/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
FOLH1 Q04609 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
PGGT1B P53609 1/20 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
SCHEMBL929278 0.95 KDM4E (0.35) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL930376 0.88 KDM4E (0.37) FOLH1FNTAFNTBKDM4EMAPT
SCHEMBL4986101 0.82 KDM4E (0.41) FOLH1FNTAFNTBKDM4EMAPT
SCHEMBL928853 0.80 KDM4E (0.39) FOLH1FNTAFNTBKDM4EMAPT
SCHEMBL929519 0.79 KDM4E (0.52) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4989672 0.76 MMP9 (0.46) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL4987659 0.76 KDM4E (0.36) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27696220 0.74 MAPT (0.61) KMT2AMEN1FOLH1KDM4EMAPT
SCHEMBL7263731 0.74 MAPT (0.61) KMT2AMEN1FOLH1KDM4EMAPT
SCHEMBL14854322 0.74 NOD1 (0.48) NOD1FNTAFNTBPGGT1BKDM4E

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 HDAC3 490/4885HDAC1 221/4885HDAC2 550/4885

“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.