Sugi Predict

Sugi Predict / Compounds / SCHEMBL4158582

SCHEMBL4158582

SCHEMBL4158582

N[C@@H](CCC(=O)N[C@@H](CSCC(=O)O)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.68
▸ GSTK1 Q9Y2Q3 1/20 0.68
▸ GLO1 Q04760 4/20 0.63
▸ FOLH1 Q04609 2/20 0.43
▸ NOD1 Q9Y239 5/20 0.42
▸ BHMT Q93088 1/20 0.42
▸ GRM8 O00222 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GSR P00390 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39

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
SCHEMBL4158575 1.00 PTGS1 (0.68) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL11864029 0.94 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL11864018 0.94 PTGS1 (0.67) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL4675496 0.93 PTGS1 (0.65) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL28594153 0.92 PTGS1 (0.76) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL21067395 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL17433875 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL346451 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL346450 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1FOLH1NOD1
SCHEMBL29449890 0.91 PTGS1 (0.70) PTGS1GSTK1GLO1FOLH1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933642-B1 SALT ENHANCING COMPOUNDS AND USE HOFMANN THOMAS FRANK (DE) 2011-12-21 — — EP claimed
US-20090155440-A1 Salt Enhancing Compounds and Use GIVAUDAN SA (CH) 2009-06-18 — — US claimed
EP-1933642-A1 SALT ENHANCING COMPOUNDS AND USE Thomas Frank Hofmann & Andreas Dunkel Inst. für Lebensmittelchemie (DE) 2008-06-25 — — EP claimed
WO-2007042274-A1 SALT ENHANCING COMPOUNDS AND USE THOMAS FRANK HOFMANN & ANDREAS DUNKEL (DE) 2007-04-19 — — WO claimed
EP-3806661-B1 USE OF ANTAGONISTS OF T2R54 FIRMENICH INCORPORATED (US) 2025-07-02 — — EP disclosed
EP-4566459-A2 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF Firmenich Incorporated (US) 2025-06-11 — — EP disclosed
US-12295396-B2 Antagonists of T2R54 and compositions and uses thereof FIRMENICH INCORPORATED (US) 2025-05-13 — — US disclosed
US-20250065383-A1 Methods and Compositions for Removing PFA BluumBio Inc. (US) 2025-02-27 — — US disclosed
CN-119264123-A Antagonists of T2R54, compositions thereof and uses thereof 弗门尼舍公司 2025-01-07 — — CN disclosed
CN-113194742-B Antagonists of T2R54, compositions thereof and uses thereof 弗门尼舍公司 2024-09-27 — — CN disclosed
US-20240114942-A1 Antagonists of T2R54 and Compositions and Uses Thereof FIRMENICH INCORPORATED (US) 2024-04-11 — — US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 — — US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 — — US disclosed
US-20140172387-A1 PREDICTION OF MOLECULAR BIOACTIVATION GENENTECH, INC. (US) 2014-06-19 — — US disclosed
EP-1933642-B1 SALT ENHANCING COMPOUNDS AND USE HOFMANN THOMAS FRANK (DE) 2011-12-21 — — EP disclosed
US-20090155440-A1 Salt Enhancing Compounds and Use GIVAUDAN SA (CH) 2009-06-18 — — US disclosed
EP-1933642-A1 SALT ENHANCING COMPOUNDS AND USE Thomas Frank Hofmann & Andreas Dunkel Inst. für Lebensmittelchemie (DE) 2008-06-25 — — EP disclosed
WO-2007042274-A1 SALT ENHANCING COMPOUNDS AND USE THOMAS FRANK HOFMANN & ANDREAS DUNKEL (DE) 2007-04-19 — — WO disclosed
US-3984569-A Cosmetic compositions for treating the hair containing S-substituted derivatives of glutathione L'OREAL (FR) 1976-10-05 — — US 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 (6 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 PTGS1 1786/4885GSTK1 3185/4885GLO1 3090/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 PTGS1 3306/4885GSTK1 4404/4885GLO1 2837/4885
US-12295396-B2 Antagonists of T2R54 and compositions and uses thereof TAS2R50, TAS2R30, TAS2R60 PTGS1 2216/4885GSTK1 4513/4885GLO1 3405/4885
US-20090155440-A1 Salt Enhancing Compounds and Use TAS1R1, TAS2R41, TAS2R40 PTGS1 2559/4885GSTK1 4236/4885GLO1 1368/4885
US-20240114942-A1 Antagonists of T2R54 and Compositions and Uses Thereof TAS2R50, TAS2R30, TAS2R60 PTGS1 2216/4885GSTK1 4513/4885GLO1 3405/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D PTGS1 312/4885GSTK1 1061/4885GLO1 1337/4885

“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.