SCHEMBL2116029

SCHEMBL2116029

CC(C)[Si]1(C(C)C)OC(C(=O)COc2ccccc2)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
GSK3A P49840 2/20 0.48
RPS6KA3 P51812 2/20 0.48
MAPK14 Q16539 2/20 0.48
HINT1 P49773 9/20 0.47
STING1 Q86WV6 3/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL10476426 0.89 TAAR1 (0.44) TAAR1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL2215956 0.85 TAAR1 (0.42) TAAR1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL2401085 0.85 STING1 (0.51) TAAR1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL2107377 0.85 TAAR1 (0.41) TAAR1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL15841326 0.84 TAAR1 (0.40) TAAR1GSK3ARPS6KA3MAPK14HINT1
SCHEMBL9964274 0.76 STING1 (0.60) STING1PDE3BPDE3A
SCHEMBL22983981 0.76 STING1 (0.60) STING1PDE3BPDE3A
SCHEMBL20149810 0.76 STING1 (0.60) STING1PDE3BPDE3A
SCHEMBL14946363 0.76 STING1 (0.60) STING1PDE3BPDE3A
SCHEMBL25504648 0.76 STING1 (0.60) STING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098230-B1 THIOETHER COMPOUND FOR THE PROTECTION OF THE 2'-HYDROXY GROUP IN NUCLEOSIDES TO BE USED IN OLIGONUCLEOTIDE SYNTHESIS. BONAC CORP (JP) 2020-05-06 EP disclosed
US-9988415-B2 Glycoside compound, method for producing thioether, ether, method for producing ether, method for producing glycoside compound, method for producing nucleic acid BONAC CORPORATION (JP) 2018-06-05 US disclosed
EP-2749565-B1 NUCLEOSIDE PHOSPHORAMIDATES FOR PRODUCING NUCLEIC ACIDS BONAC CORP (JP) 2017-05-31 EP disclosed
EP-3098230-A1 THIOETHER COMPOUND FOR THE PROTECTION OF THE 2'-HYDROXY GROUP IN NUCLEOSIDES TO BE USED IN OLIGONUCLEOTIDE SYNTHESIS. Bonac Corporation (JP) 2016-11-30 EP disclosed
US-9481702-B2 Glycoside compound, method for producing thioether, ether, method for producing ether, method for producing glycoside compound, method for producing nucleic acid BONAC CORPORATION (JP) 2016-11-01 US disclosed
US-20160176810-A1 GLYCOSIDE COMPOUND, METHOD FOR PRODUCING THIOETHER, ETHER, METHOD FOR PRODUCING ETHER, METHOD FOR PRODUCING GLYCOSIDE COMPOUND, METHOD FOR PRODUCING NUCLEIC ACID BONAC CORPORATION (JP) 2016-06-23 US disclosed
US-20140206856-A1 GLYCOSIDE COMPOUND, METHOD FOR PRODUCING THIOETHER, ETHER, METHOD FOR PRODUCING ETHER, METHOD FOR PRODUCING GLYCOSIDE COMPOUND, METHOD FOR PRODUCING NUCLEIC ACID BONAC CORPORATION (JP) 2014-07-24 US disclosed
EP-2749565-A1 GLYCOSIDE COMPOUND, METHOD FOR PRODUCING THIOETHER, ETHER, METHOD FOR PRODUCING ETHER, METHOD FOR PRODUCING GLYCOSIDE COMPOUND, METHOD FOR PRODUCING NUCLEIC ACID Bonac Corporation (JP) 2014-07-02 EP disclosed
US-8158774-B2 Method for introducing a nucleic-acid protecting group NIPPON SHINYAKU CO., LTD. (JP) 2012-04-17 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 (2 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-20160176810-A1 GLYCOSIDE COMPOUND, METHOD FOR PRODUCING THIOETHER, ETHER, METHOD FOR PRODUCING ETHER, METHOD FOR PRODUCING GLYCOSIDE COMPOUND, METHOD FOR PRODUCING NUCLEIC ACID DDOST, TENT4A, TRDMT1 TAAR1 2080/4885GSK3A 3476/4885RPS6KA3 2455/4885
US-20140206856-A1 GLYCOSIDE COMPOUND, METHOD FOR PRODUCING THIOETHER, ETHER, METHOD FOR PRODUCING ETHER, METHOD FOR PRODUCING GLYCOSIDE COMPOUND, METHOD FOR PRODUCING NUCLEIC ACID DDOST, TENT4A, TRDMT1 TAAR1 2080/4885GSK3A 3476/4885RPS6KA3 2455/4885

“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.