SCHEMBL10461189

SCHEMBL10461189

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)C(C)C)ncnc43)C(OC(=S)N3CCS(=O)(=O)CC3)C2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.38
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL10457923 1.00 TYMP (0.38) TYMPPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13838189 0.95 TYMP (0.38) TYMPPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13830723 0.95 TYMP (0.38) TYMPPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13459280 0.94 TYMP (0.39) TYMPPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13838198 0.91 TYMP (0.40) TYMP
SCHEMBL10457830 0.91 TYMP (0.40) TYMP
SCHEMBL31635532 0.91 TYMP (0.40) TYMP
SCHEMBL20346200 0.86 TYMP (0.38) TYMPPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL10462504 0.86 TYMP (0.41) TYMP
SCHEMBL10461147 0.86 TYMP (0.48) TYMPPRKAG1PRKAA1PRKAB1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120289691-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, SNRPB2, RNGTT TYMP 202/4885PRKAG1 2125/4885PRKAA1 1444/4885
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 TYMP 91/4885PRKAG1 997/4885PRKAA1 627/4885

“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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