SCHEMBL3029966

SCHEMBL3029966

Cc1cn([C@@H]2OC(COS(C)(=O)=O)(COS(C)(=O)=O)[C@@H](OCc3ccccc3)[C@H]2OS(C)(=O)=O)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.41
HPGD P15428 1/20 0.38
TYMP P19971 1/20 0.34
NT5M Q9NPB1 1/20 0.34
BCHE P06276 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
POLB P06746 1/20 0.33
ADRA1A P35348 1/20 0.33
BLM P54132 1/20 0.33
RNASE1 P07998 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
SCHEMBL3038934 1.00 TK1 (0.41) TK1HPGDTYMPNT5MBCHE
SCHEMBL28618584 0.90 TK1 (0.39) TK1HPGDTYMPNT5MBCHE
SCHEMBL5696121 0.90 TK1 (0.39) TK1HPGDTYMPNT5MBCHE
SCHEMBL28618582 0.90 TK1 (0.39) TK1HPGDTYMPNT5MBCHE
SCHEMBL5696099 0.89 TK1 (0.43) TK1HPGDTYMPALDH1A1LMNA
SCHEMBL11981128 0.88 TK1 (0.42) TK1HPGDTYMPNT5MALDH1A1
SCHEMBL20394057 0.87 TK1 (0.37) TK1HPGDTYMPNT5MBCHE
SCHEMBL28749276 0.87 TK1 (0.37) TK1HPGDTYMPNT5MBCHE
SCHEMBL20394055 0.87 TK1 (0.37) TK1HPGDTYMPNT5MBCHE
SCHEMBL20394035 0.85 TK1 (0.41) TK1HPGDTYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501848-B1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA AS (DK) 2007-08-08 EP claimed
US-20040014959-A1 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2004-01-22 US claimed
US-8492390-B2 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2013-07-23 US disclosed
US-20120165514-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA A/S (DK) 2012-06-28 US disclosed
US-8084458-B2 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2011-12-27 US disclosed
US-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA A/S, a Denmark corporation 2010-08-26 US disclosed
US-7569575-B2 Formed via intermediates which are reactive with nucleophiles SANTARIS PHARMA A/S (DK) 2009-08-04 US disclosed
EP-1501848-B1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES SANTARIS PHARMA AS (DK) 2007-08-08 EP disclosed
EP-1163250-B1 IMPROVED SYNTHESIS OF ¬2.2.1|BICYCLO NUCLEOSIDES EXIQON AS (DK) 2006-07-12 EP disclosed
US-6734291-B2 SULFONYLATION OF A DI(HYDROXYMETHANE)FURO(2,3-D)1,3-DIOXOLE DERIVATIVE WITH A SULFONYL HALIDE EXIQON A/S (DK) 2004-05-11 US disclosed
US-20040014959-A1 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2004-01-22 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-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides EXIQON A/S 2003-05-15 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 (4 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-20100216983-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES RNGTT, NSUN3, NSUN2 TK1 195/4885HPGD 2243/4885TYMP 67/4885
US-20120165514-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES RNGTT, NSUN3, NSUN2 TK1 195/4885HPGD 2243/4885TYMP 67/4885
US-20040014959-A1 Synthesis of locked nucleic acid derivatives NSUN3, RNGTT, NSUN2 TK1 86/4885HPGD 2626/4885TYMP 61/4885
US-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides NSUN2, RNGTT, RNMT TK1 72/4885HPGD 3399/4885TYMP 59/4885

“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.