SCHEMBL10459534

SCHEMBL10459534

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@@H](OC(=S)N3CCS(=O)(=O)CC3)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NT5E P21589 1/20 0.38
▸ HINT1 P49773 1/20 0.36
▸ ADORA1 P30542 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ IMPDH1 P20839 1/20 0.35

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
SCHEMBL10460984 1.00 TYMP (0.51) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL10461147 0.89 TYMP (0.48) TYMPADORA1
SCHEMBL10459461 0.89 TYMP (0.48) TYMPADORA1
SCHEMBL3313773 0.88 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL1582054 0.88 TYMP (0.60) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL10462504 0.87 TYMP (0.41) TYMPTAS1R3TAS1R1KDM4ENT5E
SCHEMBL10457830 0.86 TYMP (0.40) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL13838198 0.86 TYMP (0.40) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL31635532 0.86 TYMP (0.40) TYMPTAS1R3TAS1R1KDM4E
SCHEMBL19493329 0.86 TYMP (0.68) TYMPTAS1R3TAS1R1HINT1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2018-07-05 — — US disclosed
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-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-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 (4 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 202/4885TAS1R3 4231/4885TAS1R1 4165/4885
US-20180186826-A1 PROTECTED MONOMER AND METHOD OF FINAL DEPROTECTION FOR RNA SYNTHESIS NSUN2, RNGTT, RNMT TYMP 231/4885TAS1R3 4261/4885TAS1R1 4266/4885
US-20160002282-A1 Protected Monomer and Method of Final Deprotection for RNA Synthesis NSUN2, SNRPB2, RNGTT TYMP 202/4885TAS1R3 4231/4885TAS1R1 4165/4885
US-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 TYMP 91/4885TAS1R3 3654/4885TAS1R1 3731/4885

“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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