Sugi Predict

Sugi Predict / Compounds / SCHEMBL929488

SCHEMBL929488

SCHEMBL929488

NC(=O)C(CS)NC(=O)C(N)CS

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ SLC7A11 Q9UPY5 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FNTA P49354 5/20 0.34
▸ FNTB P49356 5/20 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
SCHEMBL19934630 1.00 PTGS1 (0.43) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL21153867 1.00 PTGS1 (0.43) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL19934741 1.00 PTGS1 (0.43) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL19934870 1.00 PTGS1 (0.43) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL19934772 1.00 PTGS1 (0.43) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL21084936 0.96 PTGS1 (0.40) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL19934723 0.96 PTGS1 (0.40) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL21084939 0.96 PTGS1 (0.40) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL19934713 0.96 PTGS1 (0.40) PTGS1SLC7A11ACEGSTK1KDM4E
SCHEMBL21134791 0.89 PTGS1 (0.35) PTGS1SLC7A11ACEGSTK1MMP2

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 14 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
EP-3508476-B1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA INC (CN) 2023-11-22 — — EP disclosed
CN-110167915-B Amino-thiol compound, preparation method thereof and application thereof in radiation protection 上海科州药物研发有限公司 2021-11-26 — — CN disclosed
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation SHANGHAI KECHOW PHARMA, INC (CN) 2021-05-18 — — US disclosed
EP-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 — — EP disclosed
US-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA, INC. (CN) 2019-07-04 — — US disclosed
WO-2015081117-A2 THERAPEUTIC METAL COMPLEXES ECHOGEN, INC. (US) 2015-06-04 — — WO 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 (3 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-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION MGMT, PRMT8, SULT1A1 PTGS1 1697/4885SLC7A11 60/4885ACE 4638/4885
US-20060013784-A1 Novel dimercaptoamides, compositions comprising them as reducing agents, and processes for permanently reshaping keratin fibers therewith KRT18, CKAP4, S100A4 PTGS1 3948/4885SLC7A11 3750/4885ACE 3872/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 PTGS1 455/4885SLC7A11 21/4885ACE 2519/4885

“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.