SCHEMBL929422

SCHEMBL929422

C[C@@H](S)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 1.00
MAPT P10636 2/20 0.61
PTGS2 P35354 2/20 0.61
KDM4E B2RXH2 1/20 0.61
THRB P10828 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MME P08473 8/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
FOLH1 Q04609 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL931219 1.00 ACE (1.00) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL931221 1.00 ACE (1.00) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL928750 1.00 ACE (1.00) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL525145 1.00 ACE (1.00) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL30376401 0.86 ACE (0.76) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL1059519 0.85 ACE (0.74) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL3014643 0.85 ACE (0.74) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL1049889 0.85 ACE (0.74) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL930999 0.84 ACE (0.72) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL23835494 0.83 ACE (0.71) ACEMAPTPTGS2KDM4ETHRB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116347982-A Agricultural compositions for the treatment and prevention of bacterial diseases and conditions 亚马逊农业科学有限公司 2023-06-27 CN 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 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
WO-2024205472-A1 COMPOSITION FOR USE IN PREVENTION AND/OR TREATMENT OF HUMAN TRANSTHYRETIN AMYLOIDOSIS OLOFSSON ANDERS (SE) 2024-10-03 WO disclosed
CN-116347982-A Agricultural compositions for the treatment and prevention of bacterial diseases and conditions 亚马逊农业科学有限公司 2023-06-27 CN 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-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 3872/4885MAPT 998/4885PTGS2 3586/4885

“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.