SCHEMBL2284831

SCHEMBL2284831

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.39
HDAC1 Q13547 6/20 0.35
DUT P33316 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL2284827 1.00 TOP2A (0.39) TOP2AHDAC1DUTBCHE
SCHEMBL12373094 0.91 TOP2A (0.36) TOP2AHDAC1DUTBCHE
SCHEMBL2284113 0.86 TK1 (0.39)
SCHEMBL12373120 0.86 TK1 (0.39)
SCHEMBL2282272 0.84 BCHE (0.32) TOP2ABCHE
SCHEMBL12373119 0.80 BCHE (0.31) BCHE
SCHEMBL12373095 0.80 TOP2A (0.47) TOP2AHDAC1DUTBCHE
SCHEMBL14217397 0.78 TK1 (0.33)
SCHEMBL30848702 0.78 LMNA (0.47) TOP2AHDAC1DUTBCHE
SCHEMBL2284865 0.77 TOP2A (0.57) TOP2AHDAC1DUTBCHE

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 5 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-20050170388-A1 Pyrimidine nucleobases APPLERA CORPORATION (US) 2005-08-04 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-20100113759-A1 PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS PNP, NT5C3B, NUDT1 TOP2A 255/4885HDAC1 2798/4885DUT 5/4885
US-20050170388-A1 Pyrimidine nucleobases DPYD, PNP, UMPS TOP2A 324/4885HDAC1 3613/4885DUT 6/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT TOP2A 364/4885HDAC1 2715/4885DUT 3/4885

“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.