SCHEMBL930052

SCHEMBL930052

CC(CS)C(=O)NCCCS

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL929767 0.94 ALDH1A2 (0.42) ALDH1A2ALDH1A1ALDH2ALDH1A3KMT2A
SCHEMBL929555 0.87 TSHR (0.38) ALDH1A1KMT2ATSHRUSP2CYP3A4
SCHEMBL13179874 0.85 HPGD (0.45) ALDH1A1KMT2AMEN1
SCHEMBL2871521 0.81 USP2 (0.52) ALDH1A1KMT2ATSHRUSP2CYP3A4
SCHEMBL20734735 0.81 TSHR (0.41) TSHRUSP2DPP7CYP3A4
SCHEMBL929760 0.81 ALDH1A1 (0.52) ALDH1A2ALDH1A1ALDH2ALDH1A3KMT2A
SCHEMBL2876635 0.80 KDM4E (0.42) ALDH1A1KMT2ATSHRUSP2MEN1
SCHEMBL16190305 0.80 ADRA1A (0.55) TSHR
SCHEMBL16190350 0.80 ADRA1A (0.55) TSHR
SCHEMBL19388102 0.80 ADRA1A (0.55) TSHR

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 ALDH1A2 1871/4885ALDH1A1 3512/4885ALDH2 2119/4885

“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.