SCHEMBL1830845

SCHEMBL1830845

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.47
ALDH1A1 P00352 1/20 0.43
DUT P33316 2/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
DAO P14920 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PRKCA P17252 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1829505 0.83 TK1 (0.47) TK1ALDH1A1POLBHSD17B10ADRB2
SCHEMBL1833366 0.78 TK1 (0.46) TK1ALDH1A1DUTDAOSMN1; SMN2
SCHEMBL1835707 0.77 HTT (0.42) TK1DUTHSD17B10DAOHTT
SCHEMBL13712195 0.74 TK1 (0.39) TK1ALDH1A1DUTPOLBHSD17B10
SCHEMBL12000806 0.68 ALDH1A1 (0.74) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL14955318 0.67 ALDH1A1 (0.59) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL11890278 0.67 ALDH1A1 (0.39) TK1ALDH1A1DUTPOLBADRB2
SCHEMBL28492165 0.66 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL9491027 0.66 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL561339 0.66 ALDH1A1 (0.61) ALDH1A1HSD17B10ADRB2ADRB1ADRB3

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 49/4885ALDH1A1 1901/4885DUT 2/4885
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES PNP, ENTPD5, ADA TK1 59/4885ALDH1A1 2116/4885DUT 18/4885

“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.