SCHEMBL584054

SCHEMBL584054

CCC[C@@H](CCOC)OC(=O)S[C@@H](CCC)CCOC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33

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
SCHEMBL14813255 0.84 TAS1R3 (0.33)
SCHEMBL585432 0.81 POLB (0.33)
SCHEMBL585431 0.81 POLB (0.33)
SCHEMBL7596283 0.78 HDAC1 (0.32)
SCHEMBL584055 0.78 HDAC1 (0.37)
SCHEMBL28223236 0.68
SCHEMBL5161425 0.68 GLS2 (0.41) CTSK
SCHEMBL4654249 0.66 CTSK (0.44) CTSK
SCHEMBL6943788 0.66 ALDH1A1 (0.45)
SCHEMBL3801260 0.64 PRKCA (0.44) CTSK

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 CTSK 4584/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885

“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.