SCHEMBL10459461

SCHEMBL10459461

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)C(C)C)ncnc43)[C@@H](OC(=S)N3CCS(=O)(=O)CC3)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 9/20 0.48
▸ P2RY12 Q9H244 2/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ ADORA1 P30542 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39

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
SCHEMBL10461147 1.00 TYMP (0.48) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL13830309 0.93 TYMP (0.49) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL13838270 0.93 TYMP (0.49) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL20798309 0.93 TYMP (0.49) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL10460984 0.89 TYMP (0.51) TYMPADORA1
SCHEMBL10459534 0.89 TYMP (0.51) TYMPADORA1
SCHEMBL13459280 0.87 TYMP (0.39) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL10457923 0.86 TYMP (0.38) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL10461189 0.86 TYMP (0.38) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL10457914 0.84 ADORA1 (0.51) ADORA1

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-9896472-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2018-02-20 — — US disclosed
US-9273086-B2 Protected monomer and method of final deprotection for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2016-03-01 — — US disclosed
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis AGILENT TECHNOLOGIES, INC. 2016-01-07 — — US disclosed
US-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-11-15 — — US disclosed
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-07-19 — — 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-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT TYMP 202/4885P2RY12 1456/4885PRKAG1 2125/4885
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis NSUN2, SNRPB2, RNGTT TYMP 202/4885P2RY12 1456/4885PRKAG1 2125/4885
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 TYMP 91/4885P2RY12 2148/4885PRKAG1 997/4885

“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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