SCHEMBL5506285

SCHEMBL5506285

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](OCC[N+]3([O-])C(=O)c4ccccc4C3=O)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.36
P2RY14 Q15391 2/20 0.36
NT5E P21589 1/20 0.35
TYMP P19971 1/20 0.33
POLB P06746 1/20 0.33
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30
GAPDH P04406 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
SCHEMBL6935455 0.92 P2RY6 (0.40) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL6928627 0.90 P2RY6 (0.40) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL6935052 0.89 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL6935336 0.89 P2RY6 (0.38) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL31160167 0.88 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL30702563 0.88 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL31160206 0.88 P2RY6 (0.39) P2RY6P2RY14NT5ETYMPPOLB
SCHEMBL3915198 0.88 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL13715722 0.88 TYMP (0.37) P2RY6P2RY14NT5ETYMPP2RY2
SCHEMBL7248819 0.86 TYMP (0.39) TYMPGAPDH

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 12 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
EP-1102783-A4 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-07-31 EP disclosed
US-6420549-B1 NUCLEOTIDE SEQUENCES FOR USE AS TOOLS IN GENETIC ENGINEERING AND CONTROLLING TRANSLATION ISIS PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1102783-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2001-05-30 EP 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
WO-2000008042-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 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 (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 P2RY6 3042/4885P2RY14 3428/4885NT5E 109/4885
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, RNASEH1, HNRNPF P2RY6 3749/4885P2RY14 4417/4885NT5E 292/4885

“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.