Sugi Predict

Sugi Predict / Compounds / SCHEMBL18339491

SCHEMBL18339491

SCHEMBL18339491

CCCC(CC(S)OC(C)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ CHRM1 P11229 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ AKR1A1 P14550 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NFKB1 P19838 2/20 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
SCHEMBL845716 0.81 — —
SCHEMBL17220924 0.80 TSHR (0.36) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL9766489 0.73 HDAC1 (0.60) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL16775563 0.73 KISS1R (0.57) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2484343 0.72 FAAH (0.42) FAAH
SCHEMBL28252101 0.72 — —
SCHEMBL28583604 0.72 CHRM1 (0.43) HDAC7HDAC8HDAC6HDAC9HDAC5
Ammonia Solution, Strong SCHEMBL27769629 0.71 HDAC1 (0.57) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL5693919 0.71 FAAH (0.45) FAAHLMNA
SCHEMBL3248977 0.71 FAAH (0.45) FAAHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 — — CN claimed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 — — CN disclosed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 — — CN disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 — — US disclosed
CN-117466794-A Synthesis method of 3- (acetylmercapto) hexyl acetate 重庆欣欣向荣精细化工股份有限公司 2024-01-30 — — CN 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
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 — — US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 — — CN disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 — — US disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 — — EP disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 — — EP disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 — — US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 — — US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 — — WO disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 — — US 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

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 HDAC7 841/4885HDAC8 1186/4885HDAC6 1281/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 HDAC7 841/4885HDAC8 1186/4885HDAC6 1281/4885
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 HDAC7 1351/4885HDAC8 1449/4885HDAC6 607/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HDAC7 841/4885HDAC8 1186/4885HDAC6 1281/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 HDAC7 4568/4885HDAC8 2161/4885HDAC6 4455/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 HDAC7 2710/4885HDAC8 320/4885HDAC6 1931/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D HDAC7 405/4885HDAC8 835/4885HDAC6 329/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 HDAC7 841/4885HDAC8 1186/4885HDAC6 1281/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HDAC7 841/4885HDAC8 1186/4885HDAC6 1281/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 HDAC7 2710/4885HDAC8 320/4885HDAC6 1931/4885

“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.