SCHEMBL930492

SCHEMBL930492

CCOC(=O)[C@H](CS)NC(=O)[C@@H](N)CS

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAD P27708 1/20 0.42
ACE P12821 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CPB2 Q96IY4 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
METAP2 P50579 3/20 0.36
METAP1 P53582 3/20 0.36
NOD1 Q9Y239 2/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 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
SCHEMBL8644441 1.00 CAD (0.42) CADACEL3MBTL1CPB2KMT2A
SCHEMBL8642328 0.86 ACE (0.43) CADACEL3MBTL1CPB2KMT2A
SCHEMBL8642329 0.86 ACE (0.43) CADACEL3MBTL1CPB2KMT2A
SCHEMBL4400081 0.85 DPP4 (0.49) CADACEL3MBTL1CPB2KMT2A
SCHEMBL20587887 0.85 DPP4 (0.49) L3MBTL1KMT2APOLBPTGS1NOD1
SCHEMBL6010631 0.85 DPP4 (0.49) L3MBTL1KMT2APOLBPTGS1NOD1
SCHEMBL4400076 0.85 DPP4 (0.49) L3MBTL1KMT2APOLBPTGS1NOD1
SCHEMBL6010639 0.85 DPP4 (0.49) CADACEL3MBTL1CPB2KMT2A
SCHEMBL8848739 0.80 MMP8 (0.51)
SCHEMBL4990411 0.80 CAD (0.44) CADACEL3MBTL1CPB2KMT2A

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 9 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
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
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-0778285-B1 The preparation of protected amines or alkylated amino acids BASF AG (DE) 1998-08-26 EP disclosed
US-5767290-A PROTECTION OF AMINE BY A TOCOPHERYL RADICAL; MILD CONDITIONS FOR DEPROTECTING; SYNTHESIS OF OLIGOPEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5684132-A DEHYDROHALOGENATION OR DESULFATION AND AMINATION TO ADD TOCOPHEROL GROUPS BASF AKTIENGSELLSCHAFT (DE) 1997-11-04 US disclosed
EP-0778285-A1 The preparation of protected amines or alkylated amino acids BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 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 CAD 3840/4885ACE 3872/4885L3MBTL1 4554/4885

“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.