SCHEMBL929412

SCHEMBL929412

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
GAA P10253 3/20 0.41
PPID Q08752 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
ACE P12821 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
SCHEMBL12572526 0.97 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL18930970 0.85 KMT2A (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL930333 0.83 KDM4E (0.52) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL929076 0.83 KDM4E (0.52) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL16501102 0.82 KDM4E (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL21265876 0.81 ALDH1A1 (0.49) GAAPPIDMGAMSIMGAM2
SCHEMBL4401203 0.81 GAA (0.41) SMN1; SMN2KDM4EMAPTGAAPPID
SCHEMBL31285591 0.80 CYP1A2 (0.53) SMN1; SMN2HTTCTSK
SCHEMBL4632742 0.80 MAPT (0.56) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13489703 0.79 KDM4E (0.47) SMN1; SMN2KDM4EMAPTTHRBALOX15

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 5 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

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 SMN1; SMN2 4597/4885KDM4E 488/4885MAPT 998/4885

“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.