SCHEMBL12015188

SCHEMBL12015188

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)[C@H]1OP(=O)(O)OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.60
▸ TGM2 P21980 1/20 0.58
▸ HINT1 P49773 4/20 0.58
▸ FUT5 Q11128 1/20 0.56
▸ KRAS P01116 8/20 0.53
▸ IMPDH2 P12268 1/20 0.53
▸ IMPDH1 P20839 1/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ DCPS Q96C86 1/20 0.49

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
SCHEMBL12646612 1.00 NT5E (0.60) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12590132 1.00 NT5E (0.60) NT5ETGM2HINT1FUT5KRAS
SCHEMBL18058962 0.93 NT5E (0.58) NT5ETGM2HINT1FUT5KRAS
SCHEMBL20762956 0.91 TGM2 (0.65) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12590073 0.91 NT5E (0.53) NT5ETGM2HINT1FUT5KRAS
SCHEMBL33190 0.91 NT5E (0.53) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12015141 0.91 NT5E (0.53) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12590130 0.90 HINT1 (0.57) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12015199 0.90 HINT1 (0.57) NT5ETGM2HINT1FUT5KRAS
SCHEMBL12087514 0.90 HINT1 (0.57) NT5ETGM2HINT1FUT5KRAS

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-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-30 — — 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-20120220649-A1 MODIFIED DOUBLE-STRANDED POLYNUCLEOTIDE POLM, POLN, PNKP NT5E 104/4885TGM2 3429/4885HINT1 2414/4885

“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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