SCHEMBL17599666

SCHEMBL17599666

CC(C)(C)C(=O)SCCOCC[O]

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL2171182 0.84 TSHR (0.40) CA12CA1CA2CA9
SCHEMBL17613683 0.82 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL17613650 0.82 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL7940467 0.78
SCHEMBL12360854 0.77 ALDH1A1 (0.38) CA12CA1CA2CA9
SCHEMBL13425287 0.77 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL13190642 0.75 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL26636024 0.75 CCNE2 (0.36) CA12CA1CA2CA9
SCHEMBL15833396 0.74 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL20610969 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144488-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2019-05-16 US claimed
EP-3442983-A1 TRITYL-MONO-Ga1NAc COMPOUNDS AND THEIR USE H. Hoffnabb-La Roche Ag (CH) 2019-02-20 EP claimed
US-20170327524-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE HOFFMANN-LA ROCHE INC. 2017-11-16 US claimed
WO-2017178656-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2017-10-19 WO claimed
EP-3204397-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE F. Hoffmann-La Roche AG (CH) 2017-08-16 EP claimed
WO-2016055601-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 2016-04-14 WO claimed
US-11248019-B2 Trityl-mono-GalNAc compounds and their use HOFFMANN-LA ROCHE INC. (US) 2022-02-15 US disclosed
US-20210017214-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE HOFFMANN LA ROCHE (US) 2021-01-21 US disclosed
US-20190144488-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2019-05-16 US disclosed
EP-3442983-A1 TRITYL-MONO-Ga1NAc COMPOUNDS AND THEIR USE H. Hoffnabb-La Roche Ag (CH) 2019-02-20 EP disclosed
US-20170327524-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE HOFFMANN-LA ROCHE INC. 2017-11-16 US disclosed
WO-2017178656-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2017-10-19 WO disclosed
EP-3204397-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE F. Hoffmann-La Roche AG (CH) 2017-08-16 EP disclosed
WO-2016055601-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 2016-04-14 WO disclosed
EP-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP 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-11248019-B2 Trityl-mono-GalNAc compounds and their use FUT6, GALNT1, FUT5 CA12 576/4885CA1 1212/4885CA2 1698/4885
US-20190144488-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE FUT6, GALNT1, FUT5 CA12 576/4885CA1 1212/4885CA2 1698/4885
US-20210017214-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE FUT6, FUT5, GALNT6 CA12 761/4885CA1 2881/4885CA2 3321/4885
US-20170327524-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE FUT6, FUT5, GALNT6 CA12 761/4885CA1 2881/4885CA2 3321/4885

“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.