SCHEMBL1299533

SCHEMBL1299533

C[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.58
▸ FUT5 Q11128 1/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ HINT1 P49773 3/20 0.54
▸ STING1 Q86WV6 2/20 0.53
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ IMPDH2 P12268 1/20 0.51
▸ IMPDH1 P20839 1/20 0.51
▸ KRAS P01116 2/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ POLB P06746 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
SCHEMBL1299520 1.00 NT5E (0.58) NT5EFUT5TGM2HINT1STING1
SCHEMBL31462935 0.89 NT5E (0.51) NT5EFUT5TGM2HINT1STING1
Phosphoric Acid SCHEMBL25402859 0.87 NT5E (0.63) NT5EFUT5TGM2HINT1STING1
Phosphoric Acid SCHEMBL1299515 0.87 NT5E (0.63) NT5EFUT5TGM2HINT1STING1
SCHEMBL94114 0.87 NT5E (0.64) NT5EFUT5TGM2HINT1TAS1R3
SCHEMBL1971280 0.87 NT5E (0.64) NT5EFUT5TGM2HINT1TAS1R3
SCHEMBL1971274 0.87 NT5E (0.64) NT5EFUT5TGM2HINT1TAS1R3
SCHEMBL1533806 0.87 NT5E (0.64) NT5EFUT5TGM2HINT1TAS1R3
SCHEMBL14659955 0.86 NT5E (0.63) NT5EFUT5TGM2HINT1TAS1R3
SCHEMBL3294912 0.86 NT5E (0.63) NT5EFUT5TGM2HINT1TAS1R3

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-20110269968-A1 Non-Signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. (US) 2011-11-03 — — US disclosed
US-8003395-B2 Non-signal imidazole reagents for mass spectrometry analysis of phosphomonoesters TRACE BIO ANALYTICS, LLC (US) 2011-08-23 — — US disclosed
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters Trace Bio Analytics, Inc. 2009-08-27 — — 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-20110269968-A1 Non-Signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters PPIP5K2, PHPT1, IP6K3 NT5E 2735/4885FUT5 3441/4885TGM2 2139/4885
US-20090215185-A1 Non-signal Imidazole Reagents for Mass Spectrometry Analysis of Phosphomonoesters PPIP5K2, PHPT1, IP6K3 NT5E 2747/4885FUT5 3472/4885TGM2 2136/4885

“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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