SCHEMBL1327824

SCHEMBL1327824

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)COc5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.40
▸ ADORA3 P0DMS8 7/20 0.37
▸ ADORA2B P29275 7/20 0.37
▸ ADORA1 P30542 7/20 0.37
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ DOT1L Q8TEK3 2/20 0.34
▸ RNMT O43148 1/20 0.34
▸ P2RY12 Q9H244 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
SCHEMBL12765877 0.98 TYMP (0.39) TYMPADORA3ADORA2BADORA1PRKAG1
SCHEMBL3727493 0.94 TYMP (0.42) TYMPADORA3ADORA2BADORA1PRKAG1
SCHEMBL21073914 0.93 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL667192 0.93 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL29557743 0.93 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL23668111 0.93 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL21073979 0.91 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL20691430 0.91 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL21305113 0.91 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL18927161 0.91 TYMP (0.41) TYMPADORA1PRKAG1PRKAA1PRKAB1

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
EP-2540734-B1 Process and reagents for oligonucleotide synthesis and purification ALNYLAM PHARMACEUTICALS INC (US) 2016-03-30 — — EP disclosed
US-8063198-B2 Processes and reagents for desilylation of oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-8058448-B2 Processes and reagents for sulfurization of oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed
US-20110196145-A1 PROCESS FOR DESILYLATION OF OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2011-08-11 — — US disclosed
US-20050267300-A1 Processes and reagents for oligonucleotide synthesis and purification ALNYLAM PHARMACEUTICALS 2005-12-01 — — 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-20110196145-A1 PROCESS FOR DESILYLATION OF OLIGONUCLEOTIDES ALKBH1, DIMT1, RNGTT TYMP 36/4885ADORA3 103/4885ADORA2B 200/4885
US-20050267300-A1 Processes and reagents for oligonucleotide synthesis and purification RNGTT, ALKBH1, MTAP TYMP 26/4885ADORA3 111/4885ADORA2B 247/4885

“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.

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