SCHEMBL12373095

SCHEMBL12373095

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.47
DUT P33316 1/20 0.42
BCHE P06276 1/20 0.40
TK1 P04183 3/20 0.37
HDAC1 Q13547 4/20 0.36
TK2 O00142 1/20 0.36

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
SCHEMBL2278653 0.90 BCHE (0.41) TOP2ADUTBCHETK1TK2
SCHEMBL2278650 0.90 BCHE (0.41) TOP2ADUTBCHETK1TK2
SCHEMBL2284865 0.87 TOP2A (0.57) TOP2ADUTBCHETK1HDAC1
SCHEMBL10046512 0.85 TOP2A (0.47) TOP2ADUTBCHETK1HDAC1
SCHEMBL30848702 0.83 LMNA (0.47) TOP2ADUTBCHETK1HDAC1
SCHEMBL14217396 0.81 TK1 (0.44) BCHETK1TK2
SCHEMBL888191 0.80 TOP2A (0.53) TOP2ADUTTK1HDAC1TK2
SCHEMBL12762675 0.80 TOP2A (0.53) TOP2ADUTTK1HDAC1TK2
SCHEMBL12570187 0.80 TOP2A (0.53) TOP2ADUTTK1HDAC1TK2
SCHEMBL2284831 0.80 TOP2A (0.39) TOP2ADUTBCHEHDAC1

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 3 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-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

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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 TOP2A 255/4885DUT 5/4885BCHE 1123/4885

“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.