SCHEMBL929101

SCHEMBL929101

O=C(CCCCS)NCS

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
HDAC3 O15379 15/20 0.47
HDAC1 Q13547 15/20 0.47
HDAC2 Q92769 15/20 0.47
HDAC8 Q9BY41 15/20 0.47
HDAC6 Q9UBN7 15/20 0.47
HDAC10 Q969S8 14/20 0.47
HDAC11 Q96DB2 14/20 0.47
HDAC5 Q9UQL6 12/20 0.47
HDAC4 P56524 11/20 0.47
HDAC7 Q8WUI4 11/20 0.47
HDAC9 Q9UKV0 11/20 0.47
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.41
FAAH O00519 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
SCHEMBL929444 0.98 HDAC3 (0.50) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL929642 0.92
SCHEMBL929190 0.83 HDAC3 (0.58) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL24855609 0.83 HDAC3 (0.49) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28753535 0.82 FAAH (0.50) FAAH
SCHEMBL930337 0.81
SCHEMBL4345946 0.81 HDAC3 (0.59) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL15452323 0.79 FAAH (0.69) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL15452322 0.79 FAAH (0.69) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21307961 0.78

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 FOLH1 499/4885HDAC3 490/4885HDAC1 221/4885

“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.