SCHEMBL646779

SCHEMBL646779

Nc1nc2c(ncn2[C@]2(N)O[C@H](CO)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.47
TK1 P04183 2/20 0.45
PNP P00491 4/20 0.44
BLM P54132 2/20 0.44
USP2 O75604 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
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
VCP P55072 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL29490343 0.88 ADORA3 (0.46) ADORA3TK1PNPBLMUSP2
SCHEMBL4370992 0.88 ADORA3 (0.46) ADORA3TK1PNPBLMUSP2
SCHEMBL30612742 0.83 ADORA3 (0.42) ADORA3TK1PNPBLMUSP2
SCHEMBL30697779 0.81 TK1 (0.46) ADORA3TK1PNPBLMUSP2
SCHEMBL3514475 0.81 ADORA3 (0.48) ADORA3TK1PNPBLMUSP2
SCHEMBL29905570 0.80 ADORA3 (0.44) ADORA3TK1PNPBLMUSP2
SCHEMBL5999293 0.79 PNP (0.43) ADORA3TK1PNPBLMUSP2
SCHEMBL8104279 0.79 PNP (0.47) ADORA3TK1PNPBLMUSP2
SCHEMBL8490899 0.78 ADORA3 (0.48) ADORA3TK1PNPBLMUSP2
SCHEMBL4409632 0.78 TK1 (0.44) ADORA3TK1PNPBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009517350-A 2009-04-30 JP claimed
US-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2009-01-15 US claimed
EP-1973571-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2008-10-01 EP claimed
WO-2007059931-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2007-05-31 WO claimed
CN-113396219-B Purification of mRNA by tangential flow filtration ETHRIS GMBH (DE) 2026-05-26 CN disclosed
CN-120129532-A Stabilized lipid or lipid nanoparticle suspensions 埃泽瑞斯公司 2025-06-10 CN disclosed
EP-4504970-A1 COMPOSITIONS AND ANALYSIS OF DEPHOSPHORYLATED OLIGORIBONUCLEOTIDES New England Biolabs, Inc. (US) 2025-02-12 EP disclosed
CN-113423418-B Treatment of cilia disease 埃泽瑞斯公司 2025-01-10 CN disclosed
CN-112805386-B Plasmid containing a sequence encoding mRNA having a segmented poly (A) tail 埃泽瑞斯公司 2024-12-03 CN disclosed
CN-118949075-A Treatment of cilia disease 埃泽瑞斯公司 2024-11-15 CN disclosed
WO-2024042236-A1 STABLE LIPID OR LIPIDOID NANOPARTICLE SUSPENSIONS ETHRIS GMBH (DE) 2024-02-29 WO disclosed
EP-4297722-A1 FORMULATIONS FOR AEROSOL FORMATION AND AEROSOLS FOR THE DELIVERY OF NUCLEIC ACID Ethris GmbH (DE) 2024-01-03 EP disclosed
WO-2023197015-A1 COMPOSITIONS AND ANALYSIS OF DEPHOSPHORYLATED OLIGORIBONUCLEOTIDES NEW ENGLAND BIOLABS, INC. (US) 2023-10-12 WO disclosed
US-8119689-B2 Adjuvants on the basis of bisacyloxypropylcystene conjugates and derivatives and their uses in pharmaceutical compositions HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2012-02-21 US disclosed
US-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS HELMHOLTZ-ZENTRUM FUER INFEKTIONSFORSCHUNG GMBH (DE) 2009-01-15 US disclosed
EP-1973571-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2008-10-01 EP disclosed
WO-2007059931-A1 NEW ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTEINE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2007-05-31 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 (1 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-20090017106-A1 ADJUVANTS ON THE BASIS OF BISACYLOXYPROPYLCYSTENE CONJUGATES AND DERIVATIVES AND THEIR USES IN PHARMACEUTICAL COMPOSITIONS CYSLTR2, CYSLTR1, GSTO1 ADORA3 941/4885TK1 2217/4885PNP 4511/4885

“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.