Sugi Predict

Sugi Predict / Compounds / SCHEMBL682924

SCHEMBL682924

SCHEMBL682924

COCCO[C@@H]1[C@H](OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCCOC)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2C)[C@@H](COP(O)(=S)O[C@H]2[C@@H](OCCOC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(O)(=S)O[C@H]2[C@@H](OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(O)(=S)O[C@H]2[C@@H](OCCOC)[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)O[C@H]1n1cc(C)c(N)nc1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.51
▸ F2 P00734 2/20 0.50
▸ TERT O14746 1/20 0.44
▸ RNASEL Q05823 7/20 0.44
▸ FUT5 Q11128 1/20 0.40

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
SCHEMBL12023795 0.94 F2 (0.54) DTYMKF2TERTRNASEL
SCHEMBL12023746 0.93 F2 (0.53) DTYMKF2TERTRNASEL
SCHEMBL10000624 0.93 F2 (0.54) DTYMKF2TERTRNASEL
SCHEMBL12341642 0.92 F2 (0.55) DTYMKF2TERTRNASEL
SCHEMBL29390498 0.92 F2 (0.55) DTYMKF2TERTRNASEL
SCHEMBL29363015 0.92 RNASEL (0.50) DTYMKF2RNASEL
SCHEMBL29406400 0.90 F2 (0.52) DTYMKF2TERTRNASEL
SCHEMBL12023802 0.89 F2 (0.50) DTYMKF2TERTRNASELFUT5
SCHEMBL29363323 0.89 RNASEL (0.47) DTYMKF2RNASEL
SCHEMBL17589247 0.89 DTYMK (0.52) DTYMKF2TERTRNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110280963-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER ISIS PHARMACEUTICALS, INC. (US) 2011-11-17 — — 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-20110280963-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER EIF5B, EIF2B5, EIF4B DTYMK 465/4885F2 4860/4885TERT 2974/4885

“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.