SCHEMBL929798

SCHEMBL929798

O=C(CS)N[C@@H](CCS)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.44
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GNPAT O15228 1/20 0.41
NOD1 Q9Y239 2/20 0.40
ACE P12821 1/20 0.38
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 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
SCHEMBL8765134 1.00 FOLH1 (0.44) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL929799 1.00 FOLH1 (0.44) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL928640 0.85 GNPAT (0.47) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4187281 0.83 NOD1 (0.45) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4649933 0.83 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL4961378 0.83 FOLH1 (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL8861039 0.83 FOLH1 (0.65) FOLH1RIMKLANAALAD2KDM4EGNPAT
SCHEMBL4649931 0.83 GNPAT (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL1260229 0.83 FOLH1 (0.42) FOLH1RIMKLANAALAD2KDM4EMAPT
SCHEMBL8861043 0.83 FOLH1 (0.65) FOLH1RIMKLANAALAD2KDM4EGNPAT

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 18 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
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP claimed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP claimed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO 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
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP disclosed
EP-0593697-B1 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1997-08-06 EP disclosed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP disclosed
EP-0593697-A1 MERCAPTO-ACETAMIDE DERIVATIVES. EDMOND PHARMA SRL (IT) 1994-04-27 EP disclosed
WO-1993019024-A3 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-10-28 WO disclosed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO disclosed
WO-1993019024-A2 MERCAPTO-ACETAMIDE DERIVATIVES EDMOND PHARMA SRL (IT) 1993-09-30 WO 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 499/4885RIMKLA 234/4885NAALAD2 1623/4885

“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.