SCHEMBL2278653

SCHEMBL2278653

CC(C)(C)[Si](C)(C)OOC[C@H]1CC[C@@H](n2cc(CBr)c(=O)[nH]c2=O)O1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
TOP2A P11388 6/20 0.40
TK1 P04183 5/20 0.36
DUT P33316 1/20 0.35
TK2 O00142 1/20 0.35

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
SCHEMBL2278650 1.00 BCHE (0.41) BCHETOP2ATK1DUTTK2
SCHEMBL12373095 0.90 TOP2A (0.47) BCHETOP2ATK1DUTTK2
SCHEMBL2280328 0.88 BCHE (0.52) BCHETOP2ATK1
SCHEMBL14217396 0.79 TK1 (0.44) BCHETK1TK2
SCHEMBL13366956 0.77 TK1 (0.46) TK1TK2
SCHEMBL2284865 0.77 TOP2A (0.57) BCHETOP2ATK1DUT
SCHEMBL2282272 0.76 BCHE (0.32) BCHETOP2A
SCHEMBL10046512 0.75 TOP2A (0.47) BCHETOP2ATK1DUT
SCHEMBL30848702 0.73 LMNA (0.47) BCHETOP2ATK1DUT
SCHEMBL12570187 0.73 TOP2A (0.53) TOP2ATK1DUTTK2

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-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods Life Technologies Corporation (US) 2012-12-06 US disclosed
US-7998706-B2 Pyrimidine nucleobases APPLIED BIOSYSTEMS, LLC (US) 2011-08-16 US disclosed
US-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS Life Technologies Corporation (US) 2010-05-06 US disclosed
US-20050214843-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-09-29 US disclosed
US-20050170388-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-08-04 US disclosed
WO-2005063787-A2 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS APPLERA CORPORATION (US) 2005-07-14 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 (4 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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 BCHE 1123/4885TOP2A 255/4885TK1 342/4885
US-20050170388-A1 Pyrimidine nucleobases DPYD, PNP, UMPS BCHE 1560/4885TOP2A 324/4885TK1 123/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT BCHE 1664/4885TOP2A 364/4885TK1 85/4885
US-20050214843-A1 Pyrimidine nucleobases DPYD, PNP, UMPS BCHE 1560/4885TOP2A 324/4885TK1 123/4885

“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.