SCHEMBL5576839

SCHEMBL5576839

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](Oc3ccccc3OC)[C@@H]2OC(=O)CCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK2 O00142 6/20 0.39
TERT O14746 3/20 0.39
TK1 P04183 3/20 0.34
RNASE1 P07998 1/20 0.34
TYMP P19971 1/20 0.33

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
SCHEMBL5219675 0.82 TDP1 (0.36) TK2
SCHEMBL1322836 0.82 RNASE1 (0.48) TK1RNASE1
SCHEMBL2112758 0.79 TYMP (0.40) TK1TYMP
SCHEMBL5220787 0.79 TERT (0.32) TK2TERT
SCHEMBL8592454 0.79 RNASE1 (0.44) TK2TERTTK1RNASE1TYMP
SCHEMBL5134596 0.78 TK1 (0.40) TK2TK1TYMP
SCHEMBL9294173 0.76 TYMP (0.37) TK2TK1TYMP
SCHEMBL7070203 0.76 RNASE1 (0.47) TERTTK1RNASE1
SCHEMBL7267312 0.75 TK2 (0.42) TK2TK1TYMP
SCHEMBL6536270 0.74 TK1 (0.39) TK2TK1TYMP

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
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry MANOHARAN MUTHIAH 2007-05-31 US disclosed
US-7119184-B2 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1222309-B1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2005-12-07 EP disclosed
EP-1100809-B1 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS INC (US) 2004-09-22 EP disclosed
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. 2004-05-27 US disclosed
US-6737520-B2 FOR USE AS SUBSTRATE FOR RIBONUCLEASE AND CONTROLLING BINDING AFFINITY/NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-6617442-B1 Divided into two portions, one of which supports cleavage of target RNA; use in enhancing antisense therapies ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-05-22 US disclosed
US-6369209-B1 AFFINITY AND NUCLEASE RESISTANCE WHILE CONCURRENTLY SERVING AS SUBSTRATES FOR RNASE H WHEN BOUND TO A TARGET RNA STRAND ISIS PHARMACEUTICALS, INC. 2002-04-09 US disclosed
US-6271358-B1 FOR INHIBITING SPECIFIC GENE EXPRESSION; HAVING ENHANCED HYBRID BINDING AFFINITY AND/OR INCREASED NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2001-08-07 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 (5 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-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR TK2 1005/4885TERT 3287/4885TK1 661/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL TK2 272/4885TERT 1557/4885TK1 407/4885
US-20030096979-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR TK2 1005/4885TERT 3287/4885TK1 661/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL TK2 260/4885TERT 1672/4885TK1 433/4885
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry RNASEH1, RNGTT, ADAR TK2 853/4885TERT 3138/4885TK1 550/4885

“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.