SCHEMBL4543471

SCHEMBL4543471

C=CCSSCC(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 3/20 0.46
TRPA1 O75762 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
GRIK1 P39086 5/20 0.46
GRIK2 Q13002 5/20 0.46
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
NOS2 P35228 3/20 0.40
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
PTGS1 P23219 1/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
GRM1 Q13255 2/20 0.38
GRM2 Q14416 2/20 0.38
SLC7A5 Q01650 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRIN2D O15399 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
SCHEMBL12728385 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1CYP3A4HPGD
SCHEMBL1158206 1.00 ALDH1A1 (0.46) ALDH1A1ALOX15TRPA1CYP3A4HPGD
SCHEMBL20420850 0.93 GRIK1 (0.41) ALDH1A1ALOX15TRPA1CYP3A4HPGD
Cystine SCHEMBL8332360 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL10224 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL8332356 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL8332353 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL10225 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL21114356 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1
Cystine SCHEMBL5018669 0.84 PTGS1 (0.50) ALDH1A1ALOX15GRIK1GRIK2ARG1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3970793-A1 AGENT FOR PREVENTING, AMELIORATING, OR TREATING PERIODONTAL DISEASE Wakunaga Pharmaceutical Co., Ltd. (JP) 2022-03-23 EP disclosed
WO-2020230813-A1 AGENT FOR PREVENTING, AMELIORATING, OR TREATING PERIODONTAL DISEASE 湧永製薬株式会社 2020-11-19 WO disclosed
WO-2017050314-A1 FOOD ADDITIVE COMPRISING BIO-ACTIVE COMPONENTS OF GARLIC CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2017-03-30 WO disclosed
US-9226885-B2 Personal care and medicinal products incorporating bound organosulfur groups ALLIUM VITALIS INCORPORATED (US) 2016-01-05 US disclosed
US-8623919-B2 Method of synthesizing S-allyl-cysteine analogues and their therapeutic application in treating myocardial infarction FUDAN UNIVERSITY (CN) 2014-01-07 US disclosed
US-8623919-B2 Method of synthesizing S-allyl-cysteine analogues and their therapeutic application in treating myocardial infarction FUDAN UNIVERSITY (CN) 2014-01-07 US disclosed
US-8236533-B2 Process for the production of γ-glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2012-08-07 US disclosed
US-8217084-B2 Medicinal products incorporating bound organosulfur groups ALLIUM VITALIS INCORPORATED (US) 2012-07-10 US disclosed
US-20120149940-A1 Integrin Modulators and Methods for Their Use BILLINGS PHARMACEUTICALS, INC. 2012-06-14 US disclosed
EP-2186512-A1 USE OF ALLYLCYSTEINE OR ITS ANALOGS AND PHARMACEUTICAL COMPOSITION THREROF Fudan University (CN) 2010-05-19 EP disclosed
US-7678833-B2 Method to increase the bioavailability of cysteine ALLIUM VITALIS INCORPORATED (US) 2010-03-16 US disclosed
US-20090136993-A1 Process for the Production of Gamma-Glutamylcysteine NEWSOUTH INNOVATIONS PTY LIMITED 2009-05-28 US disclosed
US-20090036534-A1 Method Of Synthesizing S-Allyl-Cysteine Analogues And Their Therapeutic Application In Treating Myocardial Infarction FUDAN UNIVERSITY (CN) 2009-02-05 US disclosed
US-20090036534-A1 Method Of Synthesizing S-Allyl-Cysteine Analogues And Their Therapeutic Application In Treating Myocardial Infarction FUDAN UNIVERSITY (CN) 2009-02-05 US disclosed
US-20080234388-A1 Integrin Modulators and Methods for their Use BILLINGS PHARMACEUTICALS, INC. 2008-09-25 US disclosed
US-20080234388-A1 Integrin Modulators and Methods for their Use BILLINGS PHARMACEUTICALS, INC. 2008-09-25 US disclosed
US-20070275876-A1 Method to increase the bioavailability of cysteine ALLIUM VITALIS INCORPORATED 2007-11-29 US disclosed
EP-1028117-B1 Novel protein: prenyl transferase inhibitors TNO (NL) 2002-06-12 EP disclosed
US-6376468-B1 TETRAPEPTIDE CONTAINS CONFORMATIONALLY RESTRICTED DIPEPTIDE ISOSTER MOIETIES WHICH HAS HETEROCYCLE IN THE CENTRAL PART WHICH REDUCES THE FLEXIBILITY; INHIBITING ONCOGENESIS AND OTHER UNWANTED CELL PROLIFERATION, SUPRESSING ABERRANT HIGH NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2002-04-23 US disclosed
EP-1028117-A2 Novel protein: prenyl transferase inhibitors NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2000-08-16 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 (4 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-20080234388-A1 Integrin Modulators and Methods for their Use ITGA5, ITGB1, ITGB5 ALDH1A1 527/4885ALOX15 383/4885TRPA1 809/4885
US-20120149940-A1 Integrin Modulators and Methods for Their Use ITGA5, ITGB1, ITGB5 ALDH1A1 527/4885ALOX15 383/4885TRPA1 809/4885
US-20070275876-A1 Method to increase the bioavailability of cysteine CTH, CBS, SLC7A1 ALDH1A1 1672/4885ALOX15 894/4885TRPA1 2337/4885
US-20090036534-A1 Method Of Synthesizing S-Allyl-Cysteine Analogues And Their Therapeutic Application In Treating Myocardial Infarction SRM, SMS, SCLY ALDH1A1 1122/4885ALOX15 2011/4885TRPA1 3132/4885

“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.