SCHEMBL1833366

SCHEMBL1833366

C=Cc1cn(COCCOC(=O)c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.46
UPP1 Q16831 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.36
DAO P14920 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DUT P33316 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL4094755 0.82 TK1 (0.63) TK1UPP1SMN1; SMN2LMNACYP2C9
SCHEMBL1829505 0.82 TK1 (0.47) TK1UPP1TDP1ALDH1A1MAPK1
SCHEMBL10457105 0.82 KMT2A (0.43) UPP1CYP2C9ALDH1A1
SCHEMBL1830845 0.78 TK1 (0.47) TK1TDP1SMN1; SMN2ALDH1A1DAO
SCHEMBL1838508 0.78 UPP1 (0.53) UPP1
SCHEMBL8707821 0.71 TK1 (0.64) TK1MAPK1
SCHEMBL11396309 0.70 TK1 (0.50) TK1UPP1TDP1LMNAMAPK1
Propene SCHEMBL16044977 0.70 LMNA (0.61) TDP1SMN1; SMN2LMNAALDH1A1MAPK1
Ethylene SCHEMBL8002940 0.69 TDP1 (0.68) TDP1SMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL3870579 0.69 TDP1 (0.73) TDP1SMN1; SMN2LMNAALDH1A1MAPK1

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 10 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-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 (2 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 TK1 49/4885UPP1 92/4885TDP1 769/4885
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES PNP, ENTPD5, ADA TK1 59/4885UPP1 64/4885TDP1 1306/4885

“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.