SCHEMBL1834796

SCHEMBL1834796

O=c1[nH]c(=O)n(COCCO)cc1I

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.57
BLM P54132 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA4 P48058 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIK5 Q16478 1/20 0.49
USP2 O75604 1/20 0.44
PNP P00491 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HBB P68871 1/20 0.44
TK1 P04183 2/20 0.40
PYGM P11217 1/20 0.38

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
SCHEMBL10458521 0.81 UPP1 (0.57) UPP1BLMHSD17B10USP2PNP
SCHEMBL4088248 0.81 UPP1 (0.57) UPP1
SCHEMBL3786418 0.81 UPP1 (0.57) UPP1BLMHSD17B10CYP1A2GRIA1
SCHEMBL10457858 0.81 UPP1 (0.57) UPP1BLMHSD17B10CYP1A2GRIA1
SCHEMBL1838508 0.77 UPP1 (0.53) UPP1BLMHSD17B10USP2PNP
SCHEMBL9016400 0.77 UPP1 (0.53) UPP1BLMHSD17B10USP2PNP
Iodacyclur SCHEMBL3412826 0.76 BLM (0.51) UPP1BLMHSD17B10CYP1A2GRIA1
SCHEMBL10456669 0.76 GRIA1 (0.53) UPP1BLMHSD17B10GRIA1GRIA2
SCHEMBL3412829 0.76 KMT2A (0.48) UPP1BLMHSD17B10CYP1A2GRIA1
SCHEMBL10457857 0.73 DGKA (0.48) BLMHSD17B10CYP1A2GRIA1GRIA2

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 16 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
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
US-4916121-A PHOSPHORYLASE INHIBITOR TEIJIN LIMITED (JP) 1990-04-10 US disclosed
EP-0202056-B1 ANTITUMOR AGENT TEIJIN LIMITED (JP) 1989-08-30 EP disclosed
EP-0202056-A1 Antitumor agent TEIJIN LIMITED (JP) 1986-11-20 EP 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 UPP1 92/4885BLM 1135/4885HSD17B10 1640/4885
US-20100130440-A1 ANTIVIRAL NUCLEOSIDES PNP, ENTPD5, ADA UPP1 64/4885BLM 856/4885HSD17B10 2071/4885

“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.