SCHEMBL584055

SCHEMBL584055

CCCC(CCOC)SC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL7596283 0.84 HDAC1 (0.32) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL14813255 0.82 TAS1R3 (0.33) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL585431 0.79 POLB (0.33) HDAC1HDAC2TDP1ALDH1A1HDAC3
SCHEMBL585432 0.79 POLB (0.33) HDAC1HDAC2TDP1ALDH1A1HDAC3
SCHEMBL584054 0.78 CTSK (0.33)
SCHEMBL14813217 0.77 CHRM1 (0.41) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL5514967 0.71 HDAC1 (0.70) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL7587948 0.67 ALDH1A1 (0.41) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL112653 0.67 ALDH1A1 (0.47) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL593846 0.66 FFAR3 (0.33) HDAC1HDAC2CHRM1AKR1A1CHRM3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765204-B2 Carbonothioates as flavours and fragrances GIVAUDAN S.A. (CH) 2014-07-01 US claimed
EP-2417105-B1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2013-04-03 EP claimed
US-20120052178-A1 Carbonothioates As Flavours and Fragrances GIVAUDAN SA (CH) 2012-03-01 US claimed
EP-2417105-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES Givaudan SA (CH) 2012-02-15 EP claimed
WO-2010115920-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2010-10-14 WO claimed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US 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
US-8765204-B2 Carbonothioates as flavours and fragrances GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
EP-2417105-B1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2013-04-03 EP disclosed
US-20120052178-A1 Carbonothioates As Flavours and Fragrances GIVAUDAN SA (CH) 2012-03-01 US disclosed
EP-2417105-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES Givaudan SA (CH) 2012-02-15 EP disclosed
WO-2010115920-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2010-10-14 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 (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-20120052178-A1 Carbonothioates As Flavours and Fragrances PFAS, MGMT, RNGTT HDAC1 2218/4885HDAC2 2637/4885CHRM1 4488/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HDAC1 215/4885HDAC2 879/4885CHRM1 3064/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 HDAC1 215/4885HDAC2 879/4885CHRM1 3064/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 HDAC1 215/4885HDAC2 879/4885CHRM1 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.