SCHEMBL930369

SCHEMBL930369

NC(=O)C(CS)NC(=O)C(CS)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
MAPT P10636 3/20 0.36
PTGS2 P35354 2/20 0.36
BLM P54132 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 1/20 0.35
FCER2 P06734 1/20 0.34
BMP1 P13497 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL9636802 0.87 PTGS1 (0.38) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL9636795 0.87 PTGS1 (0.38) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL929284 0.85 ACE (0.56) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL30493691 0.77 ACE (0.40) ACEMAPTPTGS2BLMKDM4E
SCHEMBL4167222 0.77 PTGS1 (0.51) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL4635618 0.77 PTGS1 (0.51) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL4635630 0.77 PTGS1 (0.51) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL930171 0.76 ACE (0.46) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL930173 0.76 ACE (0.46) ACEPTGS1GSTK1MAPTPTGS2
SCHEMBL929620 0.76 PTGS1 (0.43) ACEPTGS1GSTK1MAPTPTGS2

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 ACE 3872/4885PTGS1 3948/4885GSTK1 2216/4885

“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.