SCHEMBL6258952

SCHEMBL6258952

CC(=O)C(O)[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@]1(O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.43
PYGM P11217 1/20 0.37
P2RY6 Q15077 3/20 0.34
P2RY14 Q15391 2/20 0.34
BCHE P06276 2/20 0.33
CYP1A2 P05177 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK5 Q16478 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1827367 0.88 TK1 (0.44) TK1BLM
SCHEMBL4364016 0.87 ALDH1A1 (0.43) TK1PYGMP2RY6KMT2A
SCHEMBL9744721 0.87 LMNA (0.43) TK1P2RY6P2RY14
SCHEMBL8176114 0.86 TK1 (0.33) TK1
SCHEMBL8167928 0.85 TK2 (0.37) TK1
SCHEMBL9803727 0.83 TK1 (0.36) TK1
SCHEMBL4366634 0.81 SLC28A1 (0.36) P2RY6
SCHEMBL10590192 0.79 TK1 (0.39) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL10736899 0.79 TK1 (0.39) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL6656869 0.79 TK1 (0.39) TK1PYGMP2RY6P2RY14CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11246590-A None JP disclosed
US-6967079-B2 Pyrimidine derivatives for labeled binding partners ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US disclosed
WO-2005065694-A1 THERAPEUTIC COMPOSITION FOR THE TREATMENT OF HUMAN EYE ACCOMMODATION DISORDERS ANBEN PHARMA (FR) 2005-07-21 WO disclosed
US-20030207824-A1 Pyrimidine derivatives for labeled binding partners MATTEUCCI MARK D (US) 2003-11-06 US disclosed
US-6617437-B1 Modified oligonucleotide of given formula; useful in diagnostics and therapeutics ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
EP-0719272-B1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS ISIS PHARMACEUTICALS INC (US) 2003-05-07 EP disclosed
US-6005096-A FOR OLIGONUCLEOTIDES THAT ARE MODIFIED TO ENHANCE THE BINDING AFFINITY AND TO BEAR DETECTABLE LABELS; FOR DIAGNOSTIC USE GILEAD SCIENCES, INC. (US) 1999-12-21 US disclosed
JP-H11246590-A PRODUCTION OF TRIFLUOROMETHYLURACIL DERIVATIVE ASAHI GLASS CO LTD 1999-09-14 JP disclosed
US-5763588-A Pyrimidine derivatives for labeled binding partners GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed
EP-0719272-A1 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
US-5502177-A POLYCYCLIC STRUCTURE BOUND TO OLIGONUCLEOTIDE, FLUORESCENT LABEL, IMMUNOASSAY GILEAD SCIENCES, INC. (US) 1996-03-26 US disclosed
US-5434257-A Binding compentent oligomers containing unsaturated 3',5' and 2',5' linkages GILEAD SCIENCES, INC. (US) 1995-07-18 US disclosed
WO-1995011911-A1 BINDING COMPETENT OLIGOMERS CONTAINING UNSATURATED 3',5' AND 2',5' LINKAGES GLAXO WELLCOME INC. (US) 1995-05-04 WO disclosed
WO-1995007918-A2 PYRIMIDINE DERIVATIVES FOR LABELED BINDING PARTNERS GILEAD SCIENCES, INC. (US) 1995-03-23 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-20030207824-A1 Pyrimidine derivatives for labeled binding partners HNRNPH3, NSUN2, HNRNPH1 TK1 24/4885PYGM 3089/4885P2RY6 2456/4885

“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.