SCHEMBL4542149

SCHEMBL4542149

Cc1cn([C@@]2(Br)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.43
LMNA P02545 3/20 0.40
ALB P02768 2/20 0.40
BLM P54132 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ADRA1A P35348 1/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
PMP22 Q01453 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6830454 1.00 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL5052901 0.87 PYGM (0.46) TK1LMNABLMALDH1A1POLB
SCHEMBL29364921 0.85 TK1 (0.45) TK1LMNAALBBLMALDH1A1
SCHEMBL135210 0.84 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL4809531 0.84 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL16187026 0.84 TK1 (0.44) TK1LMNAALBBLMALDH1A1
SCHEMBL8438314 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL7537552 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL5849101 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1
SCHEMBL2294 0.83 TK1 (0.43) TK1LMNAALBBLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638048-A1 NUCLEIC ACIDSBUILDING BLOCKS AND METHODS FOR THE SYNTHESIS OF 5-HYDROXYMETHYLCYTOSINE-CONTAINING Ludwig-Maximilians-Universität München (DE) 2013-09-18 EP disclosed
US-20130237697-A1 BUILDING BLOCKS AND METHODS FOR THE SYNTHESIS OF 5-HYDROXYMETHYLCYTOSINE-CONTAINING NUCLEIC ACIDS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2013-09-12 US disclosed
WO-2012062907-A1 NUCLEIC ACIDSBUILDING BLOCKS AND METHODS FOR THE SYNTHESIS OF 5-HYDROXYMETHYLCYTOSINE-CONTAINING LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2012-05-18 WO disclosed
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-6191266-B1 MODIFIED TO COMPRISE SUBSTITUTIONS AT POSITIONS C1', C3', C4' OR C5' OF THE SUGAR MOIETY OF THE NUCLEOSIDE, INCLUDING AN OPTIONAL 3' PHOSPHOROAMIDITE GROUP; USE IN MAKING NUCLEASE RESISTANT OLIGONUCLEOTIDES FOR ANTISENSE THERAPY ICN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0789706-A4 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1999-08-11 EP disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed
EP-0789706-A1 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1997-08-20 EP disclosed
WO-1996014329-A1 SUGAR MODIFIED NUCLEOSIDES AND THEIR USE FOR SYNTHESIS OF OLIGONUCLEOTIDES ICN PHARMACEUTICALS (US) 1996-05-17 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 (1 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-20130237697-A1 BUILDING BLOCKS AND METHODS FOR THE SYNTHESIS OF 5-HYDROXYMETHYLCYTOSINE-CONTAINING NUCLEIC ACIDS RNGTT, NSUN2, NT5C3B TK1 411/4885LMNA 1368/4885ALB 2896/4885

“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.