Sugi Predict

Sugi Predict / Compounds / SCHEMBL4696007

SCHEMBL4696007

SCHEMBL4696007

CC(=O)OCCC(C)(C)S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CHRM5 P08912 2/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ GALR3 O60755 2/20 0.41

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
SCHEMBL7997878 0.92 ALDH1A1 (0.39) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL4229823 0.80 ALDH1A1 (0.48) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2625 0.78 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL1981927 0.76 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL2517291 0.76 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL15449198 0.76 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13034084 0.76 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL19787823 0.76 HTR2C (0.33) LMNAHSD17B10
SCHEMBL22458075 0.76 LMNA (0.31) LMNAHSD17B10
SCHEMBL11621251 0.74 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210181180-A1 METHOD FOR IDENTIFYING MALODOUR COUNTERACTANTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-06-17 — — US claimed
WO-2018110672-A1 METHOD FOR IDENTIFYING MALODOUR COUNTERACTANTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-06-21 — — WO claimed
EP-3336544-A1 METHOD FOR IDENTIFYING MALODOUR COUNTERACTANTS Takasago International Corporation (JP) 2018-06-20 — — EP claimed
US-4053656-A MERCAPTO ALCOHOLS AND MERCAPTOALKYL ESTERS POLAK'S FRUTAL WORKS B.V. (NL) 1977-10-11 — — US claimed
US-20260033524-A1 FLAVOR MODIFYING COMPOSITIONS CORN PRODUCTS DEV INC (US) 2026-02-05 — — US disclosed
CN-119894387-A Flavor modulating composition 玉米产品开发公司 2025-04-25 — — CN disclosed
US-20250081996-A1 FLAVOR MODIFYING COMPOSITION PURECIRCLE SDN BHD (MY) 2025-03-13 — — US disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 — — US disclosed
CN-117940021-A Coffee beverage and method for producing the same 三得利控股株式会社 2024-04-26 — — CN disclosed
CN-117835831-A Flavor modulating composition 玉米产品开发公司 2024-04-05 — — CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 — — US disclosed
US-6417162-B1 FEMALE IMPOTENCE TREATED WITH HETEROCYCLIC COMPOUND CONTAINING NITRO GROUPS NITROMED, INC. 2002-07-09 — — US disclosed
US-20020061879-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds, compositions and their uses GARVEY DAVID S (US) 2002-05-23 — — US disclosed
EP-1109542-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-06-27 — — EP disclosed
EP-1018879-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES Nitromed, Inc. (US) 2000-07-19 — — EP disclosed
WO-2000012075-A1 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-03-09 — — WO disclosed
US-5994294-A Nitrosated and nitrosylated α-adrenergic receptor antagonist compounds, compositions and their uses NITROMED, INC. (US) 1999-11-30 — — US disclosed
WO-1997027749-A1 NITROSATED AND NITROSYLATED α-ADRENERGIC RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND THEIR USES NITROMED, INC. (US) 1997-08-07 — — WO disclosed
US-4053656-A MERCAPTO ALCOHOLS AND MERCAPTOALKYL ESTERS POLAK'S FRUTAL WORKS B.V. (NL) 1977-10-11 — — 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 (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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CHRM5 2321/4885CHRM1 3064/4885
US-20260033524-A1 FLAVOR MODIFYING COMPOSITIONS TAS2R42, TAS2R7, TAS2R31 ALDH1A1 970/4885CHRM5 186/4885CHRM1 79/4885
US-20020061879-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds, compositions and their uses ADRB1, ADRB2, ADRA2A ALDH1A1 531/4885CHRM5 72/4885CHRM1 60/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CHRM5 2321/4885CHRM1 3064/4885

“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.