SCHEMBL5506246

SCHEMBL5506246

COc1ccc(C(OC(C(=O)c2ccccc2)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCC[N+]3([O-])C(=O)c4ccccc4C3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.41
▸ ADORA1 P30542 2/20 0.40
▸ TRDMT1 O14717 1/20 0.40
▸ CARM1 Q86X55 2/20 0.40
▸ P2RX3 P56373 2/20 0.39
▸ P2RX4 Q99571 2/20 0.39
▸ P2RX2 Q9UBL9 2/20 0.39
▸ NNMT P40261 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ P2RX6 O15547 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX5 Q93086 1/20 0.38
▸ P2RY11 Q96G91 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ GNMT Q14749 2/20 0.38
▸ AHCY P23526 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6835045 0.89 ADORA1 (0.45) TYMPADORA1TRDMT1CARM1P2RX3
SCHEMBL10690523 0.86 ADORA3 (0.50) TYMPADORA1TRDMT1CARM1P2RX3
SCHEMBL5501797 0.85 CARM1 (0.33) TYMPADORA1TRDMT1CARM1P2RX3
SCHEMBL14244154 0.83 ADORA1 (0.45) TYMPADORA1TRDMT1CARM1P2RX3
SCHEMBL7266107 0.83 ADORA1 (0.47) TYMPADORA1TRDMT1CARM1NNMT
SCHEMBL17599855 0.82 NT5E (0.49) TYMPADORA1TRDMT1CARM1NNMT
SCHEMBL5218152 0.81 ADORA3 (0.41) TYMPADORA1TRDMT1CARM1P2RX3
SCHEMBL7246416 0.78 TYMP (0.52) TYMPADORA1
SCHEMBL17599879 0.78 ADORA3 (0.48) TYMPADORA1TRDMT1CARM1NNMT
SCHEMBL8144935 0.78 ADORA1 (0.45) TYMPADORA1TRDMT1CARM1NNMT

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 11 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
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
WO-2000008214-A1 OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED DIMERS ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 — — WO 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 TYMP 20/4885ADORA1 1547/4885TRDMT1 77/4885
US-20030088079-A1 AMINOOXY-MODIFIED NUCLEOSIDIC COMPOUNDS AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM HNRNPM, RNASEH1, HNRNPF TYMP 127/4885ADORA1 1640/4885TRDMT1 47/4885

“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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