Sugi Predict

Sugi Predict / Compounds / SCHEMBL4158600

SCHEMBL4158600

SCHEMBL4158600

NCCCCC(N)C(=O)N(CC(=O)O)C(CS)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.49
▸ CPB2 Q96IY4 4/20 0.44
▸ RNPEP Q9H4A4 1/20 0.40
▸ FOLH1 Q04609 1/20 0.36
▸ ENPEP Q07075 3/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ SLC7A11 Q9UPY5 1/20 0.34
▸ GNAI3 P08754 1/20 0.32
▸ GNAO1 P09471 1/20 0.32
▸ GNAI1 P63096 1/20 0.32
▸ ARG1 P05089 1/20 0.32
▸ ARG2 P78540 1/20 0.32

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
SCHEMBL4158594 1.00 GSR (0.49) GSRCPB2RNPEPFOLH1ENPEP
SCHEMBL20489339 0.82 GSR (0.55) GSRCPB2RNPEPENPEPPTGS1
SCHEMBL20489340 0.82 GSR (0.55) GSRCPB2RNPEPENPEPPTGS1
SCHEMBL20489341 0.82 GSR (0.55) GSRCPB2RNPEPENPEPPTGS1
SCHEMBL5556166 0.73 GSR (0.60) GSRCPB2RNPEPFOLH1GNAI3
SCHEMBL8931572 0.73 GSR (0.60) GSRCPB2RNPEPFOLH1GNAI3
Lysine SCHEMBL5263803 0.72 GSR (0.59) GSRCPB2RNPEPPTGS1SLC7A11
SCHEMBL17459295 0.72 GSR (0.58) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL17459299 0.72 GSR (0.58) GSRCPB2RNPEPGNAI3GNAO1
SCHEMBL6130457 0.72 GSR (0.53) GSRCPB2RNPEPGNAI3GNAO1

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 32 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
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-11871772-B2 Antagonists of T2R54 and compositions and uses thereof FIRMENICH INCORPORATED (US) 2024-01-16 — — US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 — — EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 — — US disclosed
CN-113194742-A Antagonists of T2R54 and their compositions and uses 弗门尼舍公司 2021-07-30 — — CN disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 — — US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 — — WO disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 GSR 2160/4885CPB2 4610/4885RNPEP 4157/4885
US-11871772-B2 Antagonists of T2R54 and compositions and uses thereof TAS2R50, TAS2R30, TAS2R60 GSR 1605/4885CPB2 4181/4885RNPEP 2980/4885
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 GSR 4405/4885CPB2 4702/4885RNPEP 4668/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 GSR 2160/4885CPB2 4610/4885RNPEP 4157/4885
US-20090155440-A1 Salt Enhancing Compounds and Use TAS1R1, TAS2R41, TAS2R40 GSR 4410/4885CPB2 2327/4885RNPEP 715/4885
US-20240114942-A1 Antagonists of T2R54 and Compositions and Uses Thereof TAS2R50, TAS2R30, TAS2R60 GSR 1605/4885CPB2 4181/4885RNPEP 2980/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D GSR 792/4885CPB2 3054/4885RNPEP 4210/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 GSR 2160/4885CPB2 4610/4885RNPEP 4157/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 GSR 2160/4885CPB2 4610/4885RNPEP 4157/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 GSR 2156/4885CPB2 3191/4885RNPEP 4261/4885

“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.