SCHEMBL4339434

SCHEMBL4339434

COc1ccc(C(OC(C(=O)C(C)C)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2OP(=O)(OCCN(C)C=O)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.37
HPGD P15428 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
POLB P06746 1/20 0.35
FUT5 Q11128 1/20 0.35
P2RY2 P41231 1/20 0.35
P2RY4 P51582 1/20 0.35
P2RY6 Q15077 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KRAS P01116 6/20 0.34
HINT1 P49773 2/20 0.34
NT5E P21589 1/20 0.34
F2 P00734 1/20 0.34
FUT6 P51993 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
SCHEMBL6831424 0.91 TYMP (0.36) TYMPHPGDTAAR1POLBFUT5
SCHEMBL8006782 0.90 TAAR1 (0.39) TYMPHPGDTAAR1POLBFUT5
SCHEMBL6835155 0.85 TYMP (0.36) TYMPHPGDTAAR1POLBFUT5
SCHEMBL6834953 0.85 TYMP (0.36) TYMPHPGDTAAR1POLBFUT5
SCHEMBL4343188 0.83 TRDMT1 (0.37) POLB
SCHEMBL17599795 0.83 TAS1R3 (0.35) TYMPHPGDTAAR1POLBFUT5
SCHEMBL7073590 0.82 POLB (0.39) TYMPHPGDTAAR1POLBFUT5
SCHEMBL17599876 0.81 TAS1R3 (0.35) TYMPHPGDTAAR1POLBFUT5
SCHEMBL6316021 0.81 TYMP (0.39) TYMPHPGDTAAR1POLBHINT1
SCHEMBL17599829 0.81 TAS1R3 (0.34) TYMPHPGDTAAR1POLBFUT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809824-B2 CpG oligonucleotide prodrugs, compositions thereof and associated therapeutic methods THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-07 US disclosed
US-20090263405-A1 CpG OLIGONUCLEOTIDE PRODRUGS, COMPOSITIONS THEREOF AND ASSOCIATED THERAPEUTIC METHODS GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY (US) 2009-10-22 US disclosed
WO-2006065751-A2 CPG OLIGONUCLEOTIDE PRODRUGS, COMPOSITIONS THEREOF AND ASSOCIATED THERAPEUTIC METHODS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-06-22 WO disclosed
US-6762298-B2 DEPROTECTING AN OLIGONUCLEOTIDE BY HEATING IN A FLUID, WHERE THE PHOSPHORUS ATOM IS O-PROTECTED WITH A THERMOLABILE GROUP SUCH AS (PYRROLIDIN-1-ONE-1-YL)ALKYL; SYNTHESIS OF OLIGONUCLEOTIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-07-13 US disclosed
US-20010044529-A1 Thermolabile phosphorus protecting groups, associated intermediates and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-11-22 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-20010044529-A1 Thermolabile phosphorus protecting groups, associated intermediates and methods of use POLR2H, POLL, POLR1A TYMP 29/4885HPGD 4358/4885TAAR1 823/4885
US-20090263405-A1 CpG OLIGONUCLEOTIDE PRODRUGS, COMPOSITIONS THEREOF AND ASSOCIATED THERAPEUTIC METHODS TYMP, DCTD, TET1 TYMP 1/4885HPGD 1185/4885TAAR1 1667/4885

“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.