SCHEMBL1408672

SCHEMBL1408672

Cc1cn([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.44
HPGD P15428 1/20 0.40
RNASE1 P07998 1/20 0.40
TYMP P19971 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
POLB P06746 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 1/20 0.39
TK2 O00142 1/20 0.39
NT5M Q9NPB1 1/20 0.39

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
SCHEMBL23784803 1.00 TK1 (0.44) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL5696097 1.00 TK1 (0.44) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL5553146 1.00 TK1 (0.44) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL1096648 0.90 TK1 (0.42) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL1096225 0.90 TK1 (0.42) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL1096773 0.87 RNASE1 (0.44) TK1HPGDRNASE1TYMPALDH1A1
SCHEMBL5696095 0.87 TK1 (0.40) TK1HPGDRNASE1NT5M
SCHEMBL5696090 0.87 TK1 (0.40) TK1HPGDRNASE1NT5M
SCHEMBL2230414 0.87 TK1 (0.40) TK1HPGDRNASE1NT5M
SCHEMBL23906525 0.86 TK1 (0.41) TK1HPGDRNASE1TYMPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013661-B2 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2018-10-24 EP disclosed
EP-2361921-B1 Bicyclo-oligonucleotide analogues EXIQON AS (DK) 2015-06-03 EP disclosed
EP-2295441-B1 Bicyclonucleoside Oligonucleotide Analogue EXIQON AS (DK) 2014-05-07 EP disclosed
US-RE44779-E1 Bicyclonucleoside and oligonucleotide analogues SANTARIS PHARMA A/S (DK) 2014-02-25 US disclosed
EP-1013661-B1 2'-O,4'-C-methylene bicyclonucleosides EXIQON AS (DK) 2012-01-18 EP disclosed
EP-2361921-A2 Novel bicyclonucleoside and oligonnucleotide analogue Exiqon A/S (DK) 2011-08-31 EP disclosed
EP-2295441-A2 Novel Bicyclonucleoside and Oligonucleotide Analogue Exiqon A/S (DK) 2011-03-16 EP disclosed
EP-1163250-B1 IMPROVED SYNTHESIS OF ¬2.2.1|BICYCLO NUCLEOSIDES EXIQON AS (DK) 2006-07-12 EP disclosed
US-6770748-B2 ANTISENSE AGENTS FOR AIDS; IMMOBILIZED CONFORMATION OF THE SUGAR PORTION OF NUCLEIC ACID Imanishi, Takeshi (JP) 2004-08-03 US disclosed
US-6639059-B1 Novel synthesis strategy comprising novel key intermediate, (2.2.1)bicyclo nucleosides are produced at least two steps shorter than any previously known strategy; 3-O-aryl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose EXIQON A/S (DK) 2003-10-28 US disclosed
US-20030105309-A1 Novel bicyclonucleoside and oligonucleotide analogue TAKESHI IMANISHI (JP) 2003-06-05 US disclosed
US-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides EXIQON A/S 2003-05-15 US disclosed
US-6268490-B1 NUCLEOSIDE ANALOG; FOR ANTISENSE AGENT WHICH IS HYDROLASE RESISTANT, HAS HIGH SENSE STRAND BINDING ABILITY AND IS EASILY SYNTHESIZED TAKESHI IMANISHI (JP) 2001-07-31 US disclosed
EP-1013661-A1 NOVEL BICYCLONUCLEOSIDE AND OLIGONUCLEOTIDE ANALOGUES Imanishi, Takeshi (JP) 2000-06-28 EP 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-20030105309-A1 Novel bicyclonucleoside and oligonucleotide analogue DCLRE1B, POLA1, POLB TK1 16/4885HPGD 2958/4885RNASE1 6/4885
US-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides NSUN2, RNGTT, RNMT TK1 72/4885HPGD 3399/4885RNASE1 434/4885

“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.