SCHEMBL930344

SCHEMBL930344

O=C(CS)NCCCCCS

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC6 Q9UBN7 15/20 0.51
HDAC1 Q13547 14/20 0.51
HDAC8 Q9BY41 13/20 0.51
HDAC10 Q969S8 13/20 0.50
HDAC2 Q92769 11/20 0.50
HDAC3 O15379 9/20 0.50
HDAC4 P56524 9/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC11 Q96DB2 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CASP2 P42575 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 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
SCHEMBL929131 0.98 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL1679985 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL1366504 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL929061 0.90
SCHEMBL15057947 0.84 HDAC6 (0.54) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL8293928 0.82 HDAC6 (0.49) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL9123200 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8
SCHEMBL5144140 0.82 CASP2 (0.67) MEN1KMT2ACASP2
SCHEMBL7564045 0.82 CASP2 (0.67) MEN1KMT2ACASP2
SCHEMBL2802038 0.82 PAOX (0.57) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC8

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 3512/4885SMN1; SMN2 4597/4885HDAC6 117/4885

“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.