SCHEMBL5408372

SCHEMBL5408372

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.37
HPGD P15428 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
HINT1 P49773 8/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33
XDH P47989 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL6316021 0.92 TYMP (0.39) TYMPHPGDTAAR1HINT1KDM4E
SCHEMBL6231468 0.92 TAAR1 (0.37) TYMPHPGDTAAR1HINT1KDM4E
SCHEMBL6731355 0.90 TYMP (0.36) TYMPHPGDTAAR1HINT1KDM4E
SCHEMBL15302162 0.87 TYMP (0.44) TYMPHPGDTAAR1HINT1KDM4E
SCHEMBL16131333 0.87 TYMP (0.44) TYMPHPGDTAAR1HINT1KDM4E
SCHEMBL17222397 0.83 KDM4E (0.47) TYMPTAAR1KDM4ETAS1R3TAS1R1
SCHEMBL5403467 0.83 TRDMT1 (0.35) TYMP
SCHEMBL2108084 0.82 HPGD (0.38) TYMPHPGDTAAR1HINT1XDH
SCHEMBL6835146 0.82 TYMP (0.45) TYMPHPGDTAAR1HINT1POLB
SCHEMBL6574062 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296306-B1 BASE-PROTECTED OLIGONUCLEOTIDE AJINOMOTO KK (JP) 2022-11-09 EP disclosed
EP-2816053-B1 BASE-PROTECTED OLIGONUCLEOTIDE AJINOMOTO KK (JP) 2021-03-24 EP disclosed
EP-2816053-A1 BASE-PROTECTED OLIGONUCLEOTIDE Ajinomoto Co., Inc. (JP) 2014-12-24 EP disclosed
US-7273933-B1 Methods for synthesis of oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-6858722-B2 Oligomer phosphoramidite compositions and processes for synthesizing the same ISIS PHARMACEUTICALS, INC. (US) 2005-02-22 US disclosed
US-6846922-B1 Reacting phosphoramidite with hydroxyl group of nucleoside or oligonucleotide linked to solid support in presence of activating reagent comprising at least one pyridinium salt and at least one substituted imidazole ISIS PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20040185491-A1 Methods for synthesis of oligonucleotides ISIS PHARMACEUTICALS, INC. 2004-09-23 US disclosed
EP-0983233-B1 REAGENT USEFUL FOR SYNTHESIZING SULFURIZED OLIGONUCLEOTIDE ANALOGS ISIS PHARMACEUTICALS INC (US) 2004-05-06 EP disclosed
US-20030229220-A1 Oligomer phosphoramidite compositions and processes for synthesizing the same RAVIKUMAR VASULINGA T (US) 2003-12-11 US disclosed
US-6642373-B2 Phosphitylating using pyridinium salt activators; forming phosphorate or phosphorothioate intersugar linkages ISIS PHARMACEUTICALS, INC. 2003-11-04 US disclosed
US-20030191304-A1 Activators for oligonucleotide synthesis IONIS PHARMACEUTICALS, INC. 2003-10-09 US disclosed
US-6610842-B1 Removing hydroxyl protecting group from compound of given formula and treating with another compound; wide range of diagnostic and therapeutic uses ISIS PHARMACEUTICALS, INC. 2003-08-26 US disclosed
US-6399831-B1 THIODICARBONIC ACID DIESTER POLYSULFIDE ISIS PHARMACEUTICALS, INC. 2002-06-04 US disclosed
US-6274725-B1 PROVIDING COMPOUND HAVING A HYDROXYL GROUP; REACTING WITH PHOSPHITYLATING REAGENT IN THE PRESENCE OF A PYRIDINUM SALT IN A SOLVENT UNDER CONDITIONS OF TIME, TEMPERATURE AND PRESSURE TO YIELD PHOSPHITYLATED COMPOUND ISIS PHARMACEUTICALS, INC. 2001-08-14 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 (3 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-20040185491-A1 Methods for synthesis of oligonucleotides RNGTT, POLL, TYMP TYMP 3/4885HPGD 4758/4885TAAR1 2030/4885
US-20030229220-A1 Oligomer phosphoramidite compositions and processes for synthesizing the same PHOSPHO1, OSGEP, DTYMK TYMP 10/4885HPGD 2215/4885TAAR1 4270/4885
US-20030191304-A1 Activators for oligonucleotide synthesis ITPA, NUDT1, TYMP TYMP 3/4885HPGD 3900/4885TAAR1 4433/4885

“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.