SCHEMBL3033795

SCHEMBL3033795

COc1ccc(C(OC[C@@]23CN(C)[C@@H]([C@H](n4cc(C)c(=O)[nH]c4=O)O2)[C@@H]3OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK2 O00142 14/20 0.33
TK1 P04183 4/20 0.33
BCHE P06276 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
SCHEMBL23827208 0.93 TK2 (0.31) TK2TK1
SCHEMBL23827288 0.92 TK2 (0.30) TK2TK1
SCHEMBL23827201 0.92 TK2 (0.30) TK2TK1
SCHEMBL23827237 0.91 TK2 (0.33) TK2TK1
SCHEMBL31634930 0.91 TK2 (0.33) TK2TK1
SCHEMBL23827247 0.91 TK2 (0.31) TK2TK1
SCHEMBL23827234 0.90 TK2 (0.30) TK2
SCHEMBL23827257 0.89 TK2 (0.33) TK2
SCHEMBL23827216 0.89
SCHEMBL5557385 0.89 TK2 (0.34) TK2TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040014959-A1 Synthesis of locked nucleic acid derivatives SANTARIS PHARMA A/S (DK) 2004-01-22 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 (3 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 TK2 642/4885TK1 195/4885BCHE 3985/4885
US-20120165514-A1 SYNTHESIS OF LOCKED NUCLEIC ACID DERIVATIVES RNGTT, NSUN3, NSUN2 TK2 642/4885TK1 195/4885BCHE 3985/4885
US-20040014959-A1 Synthesis of locked nucleic acid derivatives NSUN3, RNGTT, NSUN2 TK2 550/4885TK1 86/4885BCHE 4508/4885

“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.