SCHEMBL3445235

SCHEMBL3445235

C=CCOC1C(O)[C@H](CO)O[C@@H]1n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.60
TYMP P19971 4/20 0.50
PYGM P11217 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
POLB P06746 1/20 0.48
ADRA1A P35348 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL7190811 1.00 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL7190817 1.00 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL3445234 1.00 TK2 (0.60) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL6535173 0.89 TK2 (0.60) TK2TYMPPYGM
SCHEMBL7712041 0.89 TK2 (0.60) TK2TYMPPYGM
SCHEMBL24229243 0.87 TK2 (0.67) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL5502493 0.87 TK2 (0.67) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL6512561 0.87 TK2 (0.64) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL10267691 0.87 TK2 (0.67) TK2TYMPPYGMALDH1A1LMNA
SCHEMBL5502489 0.87 TK2 (0.67) TK2TYMPPYGMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816333-B2 Oligonucleotide analogues and methods utilizing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-10-19 US disclosed
US-20090149404-A1 Oligonucleotide analogues and methods utilizing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-7217805-B2 Bicyclonucleoside analogues SANKYO COMPANY, LIMITED (JP) 2007-05-15 US disclosed
US-7057027-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-6962783-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2005-11-08 US disclosed
US-6875593-B2 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2005-04-05 US disclosed
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES FROEHLER BRIAN (US) 2004-12-30 US disclosed
US-20040220395-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. 2004-11-04 US disclosed
US-20040143114-A1 Novel bicyclonucleoside analogues SANKYO COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines FROEHLER BRIAN (US) 2003-09-11 US disclosed
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. 2003-05-22 US disclosed
EP-1256589-A2 Oligomers containing modified pyrimidines ISIS PHARMACEUTICALS, INC. (US) 2002-11-13 EP disclosed
EP-0637965-B1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES ISIS PHARMACEUTICALS INC (US) 2002-10-16 EP disclosed
US-6380368-B1 GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. 2002-04-30 US disclosed
US-5830653-A ABILITY TO INHIBIT GENE EXPRESSION GILEAD SCIENCES, INC. (US) 1998-11-03 US disclosed
US-5645985-A USED FOR DIAGNOSIS TO DETECT VIRUSES OR DISEASED CONDITIONS GILEAD SCIENCES, INC. (US) 1997-07-08 US disclosed
WO-1993010820-A1 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES GILEAD SCIENCES, INC. (US) 1993-06-10 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 (6 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-20030170680-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 TK2 139/4885TYMP 50/4885PYGM 3275/4885
US-20090149404-A1 Oligonucleotide analogues and methods utilizing the same NSUN2, RNGTT, DUT TK2 65/4885TYMP 10/4885PYGM 1467/4885
US-20040265802-A9 ENHANCED TRIPLE-HELIX AND DOUBLE-HELIX FORMATION WITH OLIGOMERS CONTAINING MODIFIED PYRIMIDINES NUDT1, DHX15, DDX5 TK2 139/4885TYMP 50/4885PYGM 3275/4885
US-20040220395-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 TK2 139/4885TYMP 50/4885PYGM 3275/4885
US-20030096980-A1 Enhanced triple-helix and double-helix formation with oligomers containing modified pyrimidines NUDT1, DHX15, DDX5 TK2 139/4885TYMP 50/4885PYGM 3275/4885
US-20040143114-A1 Novel bicyclonucleoside analogues PURB, DUT, NSUN2 TK2 205/4885TYMP 29/4885PYGM 3895/4885

“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.