SCHEMBL29657013

SCHEMBL29657013

CCCC(=O)O[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(OC(=O)N(c3ccccc3)c3ccccc3)nc(NC(=O)C(C)C)nc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 13/20 0.46
ADORA1 P30542 2/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NT5E P21589 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
P2RY11 Q96G91 1/20 0.34

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
SCHEMBL30002219 0.91 TYMP (0.56) TYMPADORA1
SCHEMBL9218371 0.87 TYMP (0.44) TYMPADORA1CDK5CDK5R1
SCHEMBL313848 0.86 TYMP (0.36) TYMP
SCHEMBL9221377 0.85 TYMP (0.38) TYMPADORA1CDK5CDK5R1
SCHEMBL26781527 0.83 TYMP (0.44) TYMPADORA1CDK5CDK5R1NT5E
SCHEMBL14665048 0.82 TYMP (0.59) TYMPADORA1NT5E
SCHEMBL1064717 0.82 TYMP (0.59) TYMPADORA1NT5E
SCHEMBL1081208 0.82 TYMP (0.47) TYMPADORA1NT5E
SCHEMBL5963136 0.81 TYMP (0.52) TYMPCDK5CDK5R1
SCHEMBL5963086 0.81 TYMP (0.54) TYMPADORA1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220288100-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS IONIS PHARMACEUTICALS, INC. (US) 2022-09-15 US disclosed
EP-4039807-A1 ANTISENSE OLIGONUCLEOTIDES USEFUL IN TREATMENT OF POMPE DISEASE Erasmus University Rotterdam Medical Center (NL) 2022-08-10 EP disclosed
US-20220162603-A1 COMPOSITIONS COMPRISING ALTERNATING 2'-MODIFIED NUCLEOSIDES FOR USE IN GENE MODULATION IONIS PHARMACEUTICALS, INC. (US) 2022-05-26 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-20220162603-A1 COMPOSITIONS COMPRISING ALTERNATING 2'-MODIFIED NUCLEOSIDES FOR USE IN GENE MODULATION NSUN2, RNMT, NSUN3 TYMP 800/4885ADORA1 2142/4885CDK5 1415/4885
US-20220288100-A1 2'-METHOXY SUBSTITUTED OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATIONS NSUN2, SNRPE, RBM3 TYMP 2606/4885ADORA1 4428/4885CDK5 2291/4885

“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.