Sugi Predict

Sugi Predict / Compounds / SCHEMBL5898808

SCHEMBL5898808

SCHEMBL5898808

CCCCCCOC(=O)CC(C)S

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ FAAH O00519 2/20 0.50
▸ DGKA P23743 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL16536983 1.00 NAAA (0.60) NAAANPSR1RAD52FAAHDGKA
SCHEMBL3725725 1.00 NAAA (0.60) NAAANPSR1RAD52FAAHDGKA
SCHEMBL11406622 1.00 NAAA (0.60) NAAANPSR1RAD52FAAHDGKA
SCHEMBL16536415 1.00 NAAA (0.60) NAAANPSR1RAD52FAAHDGKA
SCHEMBL2762718 0.92 NAAA (0.48) NAAANPSR1RAD52FAAHDGKA
SCHEMBL96745 0.92 NAAA (0.47) NAAANPSR1RAD52FAAHDGKA
SCHEMBL1756096 0.92 NAAA (0.47) NAAANPSR1RAD52FAAHDGKA
SCHEMBL98429 0.92 NAAA (0.47) NAAANPSR1RAD52FAAHDGKA
SCHEMBL97896 0.92 NAAA (0.47) NAAANPSR1RAD52FAAHDGKA
SCHEMBL98110 0.90 NAAA (0.43) NAAANPSR1RAD52FAAHDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105194-B2 Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients GIVAUDAN SA (CH) 2006-09-12 — — US claimed
EP-1153547-B1 Organoleptic compositions GIVAUDAN SA (CH) 2004-11-24 — — EP claimed
EP-1153547-A2 Organoleptic compositions Givaudan SA (CH) 2001-11-14 — — EP claimed
US-20010031720-A1 Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients GIVAUDAN SA 2001-10-18 — — US claimed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 — — US disclosed
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS SYMRISE AG (DE) 2024-04-11 — — US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
CN-105219527-B Tetrahydrofuran derivatives as fragrances 西姆莱斯股份公司 2023-11-14 — — CN disclosed
CN-116940466-A Consumer products 联合利华知识产权控股有限公司 2023-10-24 — — CN disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
CN-113242750-B Microcapsule 西姆莱斯股份公司 2023-08-22 — — CN disclosed
US-11634659-B2 Fragrances with rose scent SYMRISE AG (DE) 2023-04-25 — — 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-7105194-B2 Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients GIVAUDAN SA (CH) 2006-09-12 — — US disclosed
EP-1153547-B1 Organoleptic compositions GIVAUDAN SA (CH) 2004-11-24 — — EP disclosed
EP-1153547-A2 Organoleptic compositions Givaudan SA (CH) 2001-11-14 — — EP disclosed
US-20010031720-A1 Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients GIVAUDAN SA 2001-10-18 — — US disclosed
US-4320070-A ION EXCHANGE RESIN CATALYST PPG INDUSTRIES, INC. (US) 1982-03-16 — — US disclosed
US-4273725-A Process for preparing chlorothiolformates PPG INDUSTRIES, INC. (US) 1981-06-16 — — US disclosed
US-4268456-A FROM A MERCAPTAN AND PHOSGENE, QUATERNARY AMMONIUM SALT CATALYST PPG INDUSTRIES, INC. (US) 1981-05-19 — — 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 NAAA 981/4885NPSR1 1664/4885RAD52 4491/4885
US-11634659-B2 Fragrances with rose scent NR1H2, DUOX2, AOX1 NAAA 3874/4885NPSR1 1167/4885RAD52 2825/4885
US-20010031720-A1 Organoleptic compositions: use of 3-mercapto alkanoic acid esters as flavor ingredients TAS1R1, TAS1R3, TAS2R1 NAAA 906/4885NPSR1 2635/4885RAD52 4579/4885
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 NAAA 1190/4885NPSR1 2038/4885RAD52 4857/4885
US-20240117269-A1 NOVEL AROMATIC MONOTHIOKETALS AS FRAGRANCE COMPOUNDS TRPA1, TRPM5, TRPC5 NAAA 2383/4885NPSR1 921/4885RAD52 3948/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885NPSR1 1664/4885RAD52 4491/4885

“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.