SCHEMBL928879

SCHEMBL928879

COC(=O)[C@H](CS)NC(=O)C(C)(C)S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
MME P08473 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PDF Q9HBH1 1/20 0.33
FOLH1 Q04609 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAS1R3 Q7RTX0 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
SCHEMBL21691946 1.00 ACE (0.41) ACEMMEACE2SMN1; SMN2KDM4E
SCHEMBL24374503 0.84 ACE (0.38) ACEMMEACE2SMN1; SMN2KDM4E
SCHEMBL20122405 0.84 ACE (0.38) ACEMMEACE2SMN1; SMN2KDM4E
SCHEMBL24359833 0.84 ACE (0.36) ACEMMEACE2SMN1; SMN2KDM4E
SCHEMBL9626149 0.81 PDF (0.38) ACESMN1; SMN2KDM4EMAPTTHRB
SCHEMBL9626151 0.81 PDF (0.38) ACESMN1; SMN2KDM4EMAPTTHRB
SCHEMBL24378316 0.81 KDM4E (0.44) ACEMMEACE2SMN1; SMN2KDM4E
Bucillamine SCHEMBL522713 0.81 MAPT (0.59) ACEMMEACE2SMN1; SMN2KDM4E
Bucillamine SCHEMBL930021 0.81 MAPT (0.59) ACEMMEACE2SMN1; SMN2KDM4E
Bucillamine SCHEMBL5060887 0.81 MAPT (0.59) ACEMMEACE2SMN1; SMN2KDM4E

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 6 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
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
US-5292926-A Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0326326-A1 Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1989-08-02 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 2540/4885ACE2 3691/4885

“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.