SCHEMBL929209

SCHEMBL929209

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
GRIA1 P42261 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A2 O94788 1/20 0.37

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
SCHEMBL930076 0.95 KDM4E (0.53) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL14682789 0.88 SIRT6 (0.62) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL931196 0.87 KDM4E (0.57) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL5656185 0.87 SIRT6 (0.65) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL14471244 0.86 SIRT6 (0.56) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4395839 0.85 KDM4E (0.47) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4395835 0.85 KDM4E (0.47) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL19860488 0.85 SIRT6 (0.49) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL6403037 0.84 SIRT6 (0.57) KDM4ESMN1; SMN2MAPTTHRBALOX15
SCHEMBL4390415 0.84 SIRT6 (0.48) KDM4ESMN1; SMN2MAPTTHRBALOX15

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 KDM4E 488/4885SMN1; SMN2 4597/4885MAPT 998/4885

“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.