SCHEMBL17674530

SCHEMBL17674530

CC(C)(C)C(=O)[C@H]([O])CS

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.31
ENPEP Q07075 3/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
FOLH1 Q04609 1/20 0.30

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
SCHEMBL16979290 0.79 RNPEP (0.32)
SCHEMBL17719193 0.74 ENPEP (0.37) ENPEP
SCHEMBL6535498 0.74 PTGS1 (0.35)
SCHEMBL17176211 0.74 ENPEP (0.37) ENPEP
SCHEMBL17674518 0.72
SCHEMBL12229214 0.72 PTGS1 (0.50) ANPEPENPEP
SCHEMBL16590594 0.72 PTGS1 (0.50) ANPEPENPEP
SCHEMBL7455440 0.71
SCHEMBL5493506 0.67 L3MBTL1 (0.32)
SCHEMBL15745110 0.67 KDM4E (0.38)

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
CN-106795200-B Galnac phosphoramidites, nucleic acid conjugates thereof, and uses thereof 豪夫迈·罗氏有限公司 2020-06-19 CN 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

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 ANPEP 525/4885ENPEP 401/4885HMGCR 2652/4885
US-20190144488-A1 TRITYL-MONO-GalNAc COMPOUNDS AND THEIR USE FUT6, GALNT1, FUT5 ANPEP 525/4885ENPEP 401/4885HMGCR 2652/4885
US-20210017214-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE FUT6, FUT5, GALNT6 ANPEP 196/4885ENPEP 155/4885HMGCR 3095/4885
US-20170327524-A1 GALNAC PHOSPHORAMIDITES, NUCLEIC ACID CONJUGATES THEREOF AND THEIR USE FUT6, FUT5, GALNT6 ANPEP 196/4885ENPEP 155/4885HMGCR 3095/4885

“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.