SCHEMBL5504409

SCHEMBL5504409

CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](OCC[N+]2([O-])C(=O)c3ccccc3C2=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ GSK3A P49840 2/20 0.39
▸ RPS6KA3 P51812 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ TGM2 P21980 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ KRAS P01116 5/20 0.35

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
SCHEMBL5505060 0.88 HINT1 (0.47) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL5507027 0.87 KDM4E (0.41) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL5507306 0.86 HINT1 (0.44) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL7063503 0.81 HINT1 (0.53) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL7063499 0.81 HINT1 (0.53) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL6468412 0.79 HINT1 (0.64) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL17936222 0.79 HINT1 (0.64) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL881724 0.77 NT5E (0.57) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL17198404 0.76 HINT1 (0.54) HINT1TAS1R3TAS1R1GSK3ARPS6KA3
SCHEMBL16264223 0.75 TAS1R3 (0.44) HINT1TAS1R3TAS1R1GSK3ARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977767-B1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2007-09-19 — — EP disclosed
US-6849723-B2 Oligonucleotide analogs having modified dimers ISIS PHARMACEUTICALS, INC. (US) 2005-02-01 — — US disclosed
US-20030181693-A1 Oligonucleotide analogs having modified dimers COOK PHILLIP DAN (US) 2003-09-25 — — US disclosed
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS, INC. 2003-05-08 — — US disclosed
US-6420549-B1 NUCLEOTIDE SEQUENCES FOR USE AS TOOLS IN GENETIC ENGINEERING AND CONTROLLING TRANSLATION ISIS PHARMACEUTICALS, INC. 2002-07-16 — — US disclosed
US-6194598-B1 Aminooxy-modified oligonucleotide synthetic intermediates ISIS PHARMACEUTICALS, INC. 2001-02-27 — — US disclosed
US-6127533-A SPECIFICALLY HYBRIDIZABLE WITH A SELECTED SEQUENCE OF RNA OR DNA; DIAGNOSIS OF DISEASES ISIS PHARMACEUTICALS, INC. (US) 2000-10-03 — — 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-20030181693-A1 Oligonucleotide analogs having modified dimers RNASEL, ADAR, RNGTT HINT1 525/4885TAS1R3 4108/4885TAS1R1 4440/4885
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, RNASEH1, HNRNPF HINT1 479/4885TAS1R3 4572/4885TAS1R1 4668/4885

“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.

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