SCHEMBL735528

SCHEMBL735528

Cc1cn([C@H]2C[C@H](O)[C@@H](COC(=O)c3ccccc3C(=O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.54
POLB P06746 1/20 0.48
TK1 P04183 1/20 0.47
BCHE P06276 1/20 0.47
RNASE1 P07998 1/20 0.47

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
SCHEMBL753347 0.92 RNASE1 (0.47) TYMSTK1RNASE1
SCHEMBL6047006 0.89 TYMS (0.58) TYMSPOLBBCHE
SCHEMBL6047004 0.89 TYMS (0.58) TYMSPOLBBCHE
SCHEMBL734984 0.87 RNASE1 (0.46) TYMSTK1RNASE1
SCHEMBL7038116 0.87 TYMS (0.60) TYMSPOLBTK1RNASE1
SCHEMBL7040500 0.87 TYMS (0.60) TYMSPOLBTK1RNASE1
SCHEMBL10171185 0.87 BCHE (0.45) TYMSTK1BCHERNASE1
SCHEMBL2543582 0.84 TYMS (0.63) TYMSPOLBTK1BCHE
SCHEMBL26194337 0.81 POLB (0.53) POLBTK1BCHERNASE1
SCHEMBL734167 0.81 POLB (0.49) POLBTK1BCHERNASE1

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 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 (1 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR TYMS 73/4885POLB 26/4885TK1 138/4885

“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.