SCHEMBL5505251

SCHEMBL5505251

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)nc(N)nc43)[C@H](OCCO)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.58
ADORA1 P30542 2/20 0.52
HINT1 P49773 2/20 0.48
ADORA2A P29274 3/20 0.48
ADORA2B P29275 2/20 0.48
NT5E P21589 2/20 0.45

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
SCHEMBL5502116 0.92 TYMP (0.56) TYMPADORA1HINT1ADORA2AADORA2B
SCHEMBL5505961 0.91 TYMP (0.55) TYMPADORA1HINT1ADORA2AADORA2B
SCHEMBL6466590 0.87 TYMP (0.54) TYMPADORA1HINT1ADORA2AADORA2B
SCHEMBL7615396 0.87 TYMP (0.57) TYMPADORA1ADORA2AADORA2BNT5E
SCHEMBL7615405 0.87 TYMP (0.57) TYMPADORA1ADORA2AADORA2BNT5E
SCHEMBL8610421 0.85 TYMP (0.56) TYMPADORA1HINT1NT5E
SCHEMBL7615059 0.85 TYMP (0.59) TYMPADORA1ADORA2AADORA2BNT5E
SCHEMBL7615063 0.85 TYMP (0.59) TYMPADORA1ADORA2AADORA2BNT5E
SCHEMBL23629846 0.84 TYMP (0.59) TYMPADORA1NT5E
SCHEMBL23630033 0.84 TYMP (0.59) TYMPADORA1NT5E

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-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-6639062-B2 Oligonucleotides which elicit ribonuclease for cleavage in complementary nucleic acid strand, having increased binding affinity/nuclease resistance; for medical diagnosis, gene therapy ISIS PHARMACEUTICALS, INC. 2003-10-28 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-6172209-B1 MOLECULAR HYBRIDIZATION, GENETIC ENGINEERING; NUCLEASE RESISTANCE ISIS PHARMACEUTICALS INC. 2001-01-09 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 TYMP 20/4885ADORA1 1547/4885HINT1 525/4885
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, RNASEH1, HNRNPF TYMP 127/4885ADORA1 1640/4885HINT1 479/4885

“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.