SCHEMBL4745859

SCHEMBL4745859

O=P(O)(O)OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 4/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
PRKAB2 O43741 1/20 0.48
TRPM2 O94759 1/20 0.48
LDHA P00338 1/20 0.48
ADRB2 P07550 1/20 0.48
FBP1 P09467 1/20 0.48
SRC P12931 1/20 0.48
ADORA1 P30542 1/20 0.48
P2RY2 P41231 1/20 0.48
P2RY1 P47900 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
P2RY11 Q96G91 1/20 0.48

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
SCHEMBL7787281 0.92 P2RX3 (0.49) SRCP2RY2P2RY1SMN1; SMN2ALDH1A1
SCHEMBL887094 0.91 P2RX3 (0.50) SRCP2RY2P2RY1SMN1; SMN2ALDH1A1
SCHEMBL20225051 0.88 P2RY1 (0.62) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL15713382 0.88 DNPH1 (0.47) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL285262 0.88 P2RY1 (0.62) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL20324734 0.88 P2RY1 (0.47) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL20225019 0.88 P2RY1 (0.62) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL18837728 0.88 P2RY1 (0.62) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL20959779 0.88 P2RY1 (0.62) DNPH1TAS1R3TAS1R1PRKAB2TRPM2
SCHEMBL24181937 0.85 SMN1; SMN2 (0.45) DNPH1TAS1R3TAS1R1PRKAB2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060105375-A1 Bioretrosynthetic methods for preparing products and compositions related thereto VANDERBILT UNIVERSITY 2006-05-18 US claimed
WO-2006044918-A2 COMPOUNDS USEFUL AS SUBSTRATES FOR ENZYMES THAT REVERSE NUCLEOTIDYLYLATED PEPTIDE AND PROTEIN MODIFICATIONS AND METHODS FOR PRODUCTION AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2006-04-27 WO claimed
US-5756711-A Phospholipid derivatives of nucleosides and their use as anti-viral medicaments BOEHRINGER MANNHEIM GMBH (DE) 1998-05-26 US claimed
EP-0545966-B1 NEW PHOSPHOLIPID DERIVATIVES OF NUCLEOSIDES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1994-11-23 EP claimed
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2021-11-18 US disclosed
US-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
WO-2008118879-A2 ANTIVIRAL COMPOSITIONS COMPRISING 2 COMPOUNDS ARDEA BIOSCIENCES, INC. (US) 2008-10-02 WO disclosed
US-20060105375-A1 Bioretrosynthetic methods for preparing products and compositions related thereto VANDERBILT UNIVERSITY 2006-05-18 US disclosed
WO-2006044918-A2 COMPOUNDS USEFUL AS SUBSTRATES FOR ENZYMES THAT REVERSE NUCLEOTIDYLYLATED PEPTIDE AND PROTEIN MODIFICATIONS AND METHODS FOR PRODUCTION AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2006-04-27 WO disclosed
US-5756711-A Phospholipid derivatives of nucleosides and their use as anti-viral medicaments BOEHRINGER MANNHEIM GMBH (DE) 1998-05-26 US disclosed
US-5563257-A Phospholipid derivatives of nucleosides BOEHRINGER MANNHEIM GMBH (DE) 1996-10-08 US disclosed
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 EP disclosed
EP-0374096-B1 COMBINATION THERAPY INVOLVING 2',3'-DIDEOXYPURINE NUCLEOSIDE AND AN INHIBITOR OF PURINE NUCLEOSIDE PHOSPHORYLASE, AND ITS COMPOSITIONS CIBA-GEIGY AG (CH) 1992-12-02 EP disclosed
EP-0509470-A2 Therapeutical compositions having anti-HIV activity consisting of 2',3'-didesoxyadenosine and substances inhibiting adenosine deaminase REPLA CHEMICAL LTD. (LI) 1992-10-21 EP disclosed
EP-0374096-A1 Combination therapy involving 2',3'-dideoxypurine nucleoside and an inhibitor of purine nucleoside phosphorylase, and its compositions CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 EP disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 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-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS PNP, TYMP, MTAP DNPH1 1664/4885TAS1R3 4004/4885TAS1R1 3974/4885
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 DNPH1 2014/4885TAS1R3 2434/4885TAS1R1 2294/4885

“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.