SCHEMBL2276807

SCHEMBL2276807

O=C(NCCOCC#CCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX12 P18054 1/20 0.34
ADRA1A P35348 1/20 0.34
TK1 P04183 2/20 0.33
TK2 O00142 1/20 0.33
ALB P02768 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14217397 0.93 TK1 (0.33) TK1TK2
SCHEMBL2283594 0.89 TK1 (0.39) TK1
SCHEMBL12373120 0.88 TK1 (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL2284113 0.88 TK1 (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL12373094 0.88 TOP2A (0.36)
SCHEMBL24922883 0.88 LMNA (0.34) LMNASMN1; SMN2ALOX12ADRA1AALB
SCHEMBL2282272 0.87 BCHE (0.32)
SCHEMBL2281293 0.85 POLB (0.41) TK1
SCHEMBL6528397 0.85 BCHE (0.31) TK1TK2
SCHEMBL12373098 0.84

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 12 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-8835625-B2 Propargyl substituted nucleoside compounds and methods APPLIED BIOSYSTEMS, LLC (US) 2014-09-16 US disclosed
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-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-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-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 LMNA 323/4885SMN1; SMN2 1906/4885ALOX12 3311/4885
US-20050170388-A1 Pyrimidine nucleobases DPYD, PNP, UMPS LMNA 1016/4885SMN1; SMN2 2111/4885ALOX12 3378/4885
US-20120309953-A1 Propargyl Substituted Nucleoside Compounds and Methods PNP, NUDT1, DUT LMNA 314/4885SMN1; SMN2 1528/4885ALOX12 3180/4885
US-20050214843-A1 Pyrimidine nucleobases DPYD, PNP, UMPS LMNA 1016/4885SMN1; SMN2 2111/4885ALOX12 3378/4885

“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.