SCHEMBL19706255

SCHEMBL19706255

O=P(O)(O)OC[C@@H]1CC[C@H](n2c(Br)nc3c(/C=C/c4ccccc4)ncnc32)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 4/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ DNPH1 O43598 3/20 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
SCHEMBL19706253 0.83 P2RY12 (0.50) P2RY12IMPDH2DNPH1
SCHEMBL17363546 0.81 SIRT2 (0.58) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL16871847 0.81 SIRT2 (0.58) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL17363547 0.81 SIRT2 (0.58) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL17363544 0.75 SIRT2 (0.51) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL19699266 0.72 DNPH1 (0.46) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL18486379 0.71 SIRT2 (0.37) SIRT2SIRT1IMPDH2
SCHEMBL19699229 0.71 POLB (0.56) P2RY12IMPDH2DNPH1
SCHEMBL19699207 0.69 DNPH1 (0.58) SIRT2SIRT1IMPDH2DNPH1
SCHEMBL16871862 0.69 HSD17B10 (0.53) —

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-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-07-09 — — US disclosed
US-20170354673-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-12-14 — — 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-10342819-B2 Oligonucleotide having non-natural nucleotide at 5′-terminal thereof RNGTT, UPF1, NSUN3 P2RY12 3118/4885SIRT2 4059/4885SIRT1 3870/4885
US-20170354673-A1 OLIGONUCLEOTIDE HAVING NON-NATURAL NUCLEOTIDE AT 5'-TERMINAL THEREOF RNGTT, UPF1, NSUN3 P2RY12 3171/4885SIRT2 4066/4885SIRT1 3885/4885

“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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