SCHEMBL7541144

SCHEMBL7541144

COc1ccc(C(OC[C@@H]2O[C@H](n3cc(I)c(=O)[nH]c3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.56
TK1 P04183 1/20 0.56
BCHE P06276 3/20 0.53
TYMP P19971 2/20 0.52

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
SCHEMBL21133906 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL6294757 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL3599668 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL15235291 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL17123679 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL6294759 1.00 TYMS (0.56) TYMSTK1BCHETYMP
SCHEMBL13255800 1.00 TYMS (0.56) TYMSTK1BCHETYMP
Idoxuridine SCHEMBL8694067 0.97 TK1 (0.62) TYMSTK1BCHETYMP
SCHEMBL5702260 0.93 TK1 (0.64) TYMSTK1BCHETYMP
SCHEMBL10692639 0.93 TK1 (0.64) TYMSTK1BCHETYMP

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-10344047-B2 Oligonucleotide ligation ATDBIO LTD. (GB) 2019-07-09 US disclosed
US-9285319-B2 Nucleic acid base analogs with quenching and fluorescent activities and applications thereof RIKEN (JP) 2016-03-15 US disclosed
US-20130231473-A1 OLIGONUCLEOTIDE LIGATION ATDBIO LTD. (GB) 2013-09-05 US disclosed
US-20130122506-A1 NUCLEIC ACID BASE ANALOGS WITH QUENCHING AND FLUORESCENT ACTIVITIES AND APPLICATIONS THEREOF TAGCYX BIOTECHNOLOGIES C/O RIKEN (JP) 2013-05-16 US disclosed
EP-2562255-A1 NUCLEIC ACID BASE ANALOG WITH QUENCHING CHARACTERISTICS AND FLUORESCENCE AND APPLICATION THEREOF Riken (JP) 2013-02-27 EP disclosed
US-20020177695-A1 Nucleic acid probes and methods DUKE UNIVERSITY 2002-11-28 US disclosed
US-6288221-B1 REPLACING NUCLEOSIDE WITH DIMETHOXYTRITYL, PHOSPHORAMIDITE, OR HALONUCLEOSIDE DERIVATIVE; ELECTROCHEMICAL OR PHOTOCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES DUKE UNIVERSITY 2001-09-11 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-10344047-B2 Oligonucleotide ligation LIG1, LIG3, LIG4 TYMS 116/4885TK1 44/4885BCHE 3249/4885
US-20020177695-A1 Nucleic acid probes and methods NUDT1, NT5C3B, NT5C2 TYMS 52/4885TK1 71/4885BCHE 3856/4885
US-20130231473-A1 OLIGONUCLEOTIDE LIGATION LIG3, LIG1, LIG4 TYMS 113/4885TK1 79/4885BCHE 2553/4885

“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.