SCHEMBL1839352

SCHEMBL1839352

C=Cc1cn(COC(CO)CO)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
VCP P55072 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TYMP P19971 3/20 0.40
UPP1 Q16831 1/20 0.33
DPYD Q12882 1/20 0.33
PDE3A Q14432 1/20 0.31
GRIA1 P42261 4/20 0.31
GRIA2 P42262 4/20 0.31
GRIA4 P48058 4/20 0.31
GRIK5 Q16478 4/20 0.31
CYP1A2 P05177 2/20 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
SCHEMBL13321362 0.86 TYMP (0.33) KMT2AMEN1SMN1; SMN2TYMPDPYD
SCHEMBL3415213 0.83 DPYD (0.34) KMT2ALMNATYMPUPP1DPYD
SCHEMBL1838508 0.78 UPP1 (0.53) BLMUPP1DPYDHSD17B10
SCHEMBL9652779 0.78 KDM4E (0.51) BLMKMT2AMEN1ALDH1A1LMNA
SCHEMBL4094686 0.78 TYMP (0.63) BLMKMT2AMEN1ALDH1A1LMNA
Iodacyclur SCHEMBL3412826 0.78 BLM (0.51) BLMKMT2AMEN1ALDH1A1LMNA
SCHEMBL1829505 0.77 TK1 (0.47) ALDH1A1UPP1HSD17B10
SCHEMBL1835707 0.77 HTT (0.42) BLMKMT2AMEN1LMNATYMP
SCHEMBL13071184 0.75 TYMP (0.37) BLMKMT2AMEN1ALDH1A1LMNA
SCHEMBL13273574 0.74 TYMP (0.43) BLMKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227594-B2 Antiviral nucleosides Kumar, Rakesh (CA) 2012-07-24 US disclosed
US-8227594-B2 Antiviral nucleosides Kumar, Rakesh (CA) 2012-07-24 US disclosed
EP-2322534-A1 Antiviral nucleosides Kumar, Rakesh (CA) 2011-05-18 EP disclosed
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation PHARMASSET, INC. (US) 2010-07-01 US disclosed
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES KUMAR, RAKESH (CA) 2010-05-27 US disclosed
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES KUMAR, RAKESH (CA) 2010-05-27 US disclosed
US-7589077-B2 such as 5-iodo-O6-5'-cyclo-5,6-dihydro-3'-azido-3'-deoxythymidine for prophylaxis or diagnosis of viral diseases caused by hepatitis virus, herpes viruses such as Epstein-Barr virus Kumar, Rakesh (CA) 2009-09-15 US disclosed
US-7589077-B2 such as 5-iodo-O6-5'-cyclo-5,6-dihydro-3'-azido-3'-deoxythymidine for prophylaxis or diagnosis of viral diseases caused by hepatitis virus, herpes viruses such as Epstein-Barr virus Kumar, Rakesh (CA) 2009-09-15 US disclosed
US-20040242533-A1 Antiviral nucleosides KUMAR, RAKESH (CA) 2004-12-02 US disclosed
EP-1387850-A2 ANTIVIRAL NUCLEOSIDES Kumar, Rakesh (CA) 2004-02-11 EP disclosed
WO-2002094844-A2 ANTIVIRAL NUCLEOSIDES KUMAR RAKESH (CA) 2002-11-28 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 (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-20040242533-A1 Antiviral nucleosides ENTPD5, DUT, ADA BLM 1135/4885KMT2A 2808/4885MEN1 4065/4885
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES PNP, ENTPD5, ADA BLM 856/4885KMT2A 2396/4885MEN1 3138/4885
US-20100168052-A1 Treatment of EBV and KHSV Infection and Associated Abnormal Cellular Proliferation UMPS, ENTPD5, TK1 BLM 3490/4885KMT2A 313/4885MEN1 3294/4885

“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.