SCHEMBL1835707

SCHEMBL1835707

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
TK1 P04183 1/20 0.36
DUT P33316 1/20 0.36
KMT2A Q03164 3/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 1/20 0.35
DAO P14920 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 3/20 0.33
TYMP P19971 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPYD Q12882 1/20 0.33
LMNA P02545 1/20 0.32
GRIA1 P42261 3/20 0.31
GRIA2 P42262 3/20 0.31
GRIA4 P48058 3/20 0.31
GRIK5 Q16478 3/20 0.31
BLM P54132 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
SCHEMBL4083768 0.78 TYMP (0.52) HTTTK1TYMP
SCHEMBL1832236 0.78 CYP1A2 (0.51) HTTTK1DUTKMT2ACYP2C9
SCHEMBL1830845 0.77 TK1 (0.47) HTTTK1DUTDAOTDP1
SCHEMBL1839352 0.77 BLM (0.41) KMT2ACYP1A2TYMPMEN1DPYD
SCHEMBL1841436 0.75 HTT (0.43) HTTTK1DUTKMT2ACYP2C9
SCHEMBL3415213 0.75 DPYD (0.34) HTTKMT2ATYMPDPYDLMNA
SCHEMBL1841434 0.74 HTT (0.42) HTTTK1DUTKMT2ACYP2C9
SCHEMBL1838508 0.72 UPP1 (0.53) DPYDBLMHSD17B10
SCHEMBL11890275 0.72 HTT (0.40) HTTTK1DUTKMT2ACYP2C9
SCHEMBL13321362 0.69 TYMP (0.33) HTTTK1KMT2ACYP2C9MAPT

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
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-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-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

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 HTT 4686/4885TK1 49/4885DUT 2/4885
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES PNP, ENTPD5, ADA HTT 4404/4885TK1 59/4885DUT 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.