SCHEMBL931025

SCHEMBL931025

CC(C)(S)CC(=O)NCCS

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.38
HDAC4 P56524 8/20 0.38
HDAC1 Q13547 8/20 0.38
HDAC7 Q8WUI4 8/20 0.38
HDAC2 Q92769 8/20 0.38
HDAC10 Q969S8 8/20 0.38
HDAC11 Q96DB2 8/20 0.38
HDAC8 Q9BY41 8/20 0.38
HDAC6 Q9UBN7 8/20 0.38
HDAC9 Q9UKV0 8/20 0.38
HDAC5 Q9UQL6 8/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL929550 0.88 MEN1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL930393 0.86 MEN1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL929623 0.82 HPGD (0.32) HPGD
SCHEMBL13239831 0.79 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20734738 0.79 ECE1 (0.48) MEN1KMT2A
SCHEMBL13239830 0.79 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19432365 0.78 TSHR (0.33) MEN1KMT2AHPGD
SCHEMBL10894621 0.78 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22900019 0.77 MCL1 (0.41) MEN1KMT2AHPGD
SCHEMBL20417364 0.76 CASP2 (0.58) MEN1KMT2A

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 24 patents — showing the first 20. 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-10675842-B2 Transparent electrode and organic electronic device including the same Konica Minolta, Inc. (JP) 2020-06-09 US disclosed
US-20190047258-A1 TRANSPARENT ELECTRODE AND ORGANIC ELECTRONIC DEVICE INCLUDING THE SAME MERCK PATENT GMBH (DE) 2019-02-14 US disclosed
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-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use NITROMED, INC. (US) 2008-01-10 US disclosed
US-20060063774-A1 Phosphodiesterase inhibitor compounds and nitric oxide donors GARVEY DAVID S 2006-03-23 US disclosed
EP-1109543-A4 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-03-08 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
US-20030023087-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use GARVEY DAVID S (US) 2003-01-30 US disclosed
US-6472425-B1 Methods for treating female sexual dysfunctions NITROMED, INC. 2002-10-29 US disclosed
US-6462044-B2 THERAPY FOR SEXUAL DISORDERS NITROMED, INC. 2002-10-08 US disclosed
US-20020019405-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use GARVEY DAVID S (US) 2002-02-14 US disclosed
US-6331543-B1 TREATING SEXUAL DYSFUNCTION NITROMED, INC. 2001-12-18 US disclosed
EP-1109543-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 EP disclosed
WO-2000012076-A9 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2000-08-17 WO disclosed
WO-2000012076-A1 NITROSATED AND NITROSYLATED PHOSPHODIESTERASE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 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 (5 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-20030023087-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use PDE3A, PDE5A, PTGIS HDAC3 2347/4885HDAC4 3608/4885HDAC1 3620/4885
US-20020019405-A1 Nitrosated and nitrosylated phosphodiesterase inhibitors, compositions and methods of use PDE3A, PDE5A, PTGIS HDAC3 2347/4885HDAC4 3608/4885HDAC1 3620/4885
US-20080009498-A1 Phosphodiesterase inhibitors and nitric oxide donors, compositions and methods of use PDE3A, PDE3B, PDE2A HDAC3 2997/4885HDAC4 2592/4885HDAC1 2672/4885
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith KRT18, CKAP4, S100A4 HDAC3 490/4885HDAC4 395/4885HDAC1 221/4885
US-20060063774-A1 Phosphodiesterase inhibitor compounds and nitric oxide donors PDE3B, PDE3A, PDE5A HDAC3 3085/4885HDAC4 2367/4885HDAC1 1767/4885

“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.