SCHEMBL930171

SCHEMBL930171

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nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
MME P08473 3/20 0.45
PTGS1 P23219 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FOLH1 Q04609 1/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G5 P39877 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
SCHEMBL930173 1.00 ACE (0.46) ACEMMEPTGS1GSTK1SMN1; SMN2
SCHEMBL929284 0.82 ACE (0.56) ACEMMEPTGS1GSTK1SMN1; SMN2
SCHEMBL8002689 0.80 ACE (0.47) ACEMMEPTGS1GSTK1SMN1; SMN2
SCHEMBL30198613 0.77 DPP4 (0.50) ACEMMEPTGS1GSTK1FOLH1
SCHEMBL31169703 0.77 ACE (0.44) ACEMMEPTGS1GSTK1FNTA
SCHEMBL30401952 0.77 ACE (0.44) ACEMMEPTGS1GSTK1SMN1; SMN2
SCHEMBL29897967 0.76 PTGS1 (0.43) ACEMMEPTGS1GSTK1FOLH1
SCHEMBL30433877 0.76 PTGS1 (0.43) ACEMMEPTGS1GSTK1FOLH1
SCHEMBL930369 0.76 ACE (0.41) ACEMMEPTGS1GSTK1SMN1; SMN2
SCHEMBL31064920 0.74 BACE1 (0.48) PTGS1GSTK1

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 ACE 3872/4885MME 2540/4885PTGS1 3948/4885

“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.