SCHEMBL23813664

SCHEMBL23813664

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)C2SS)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
HINT1 P49773 4/20 0.54
NT5E P21589 1/20 0.54
PNP P00491 2/20 0.53
GSK3A P49840 2/20 0.51
RPS6KA3 P51812 2/20 0.51
MAPK14 Q16539 2/20 0.51
PAX8 Q06710 1/20 0.51
TGM2 P21980 1/20 0.51
STING1 Q86WV6 2/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ADORA3 P0DMS8 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
SCHEMBL21350960 1.00 HPGD (0.59) HPGDHINT1NT5EPNPGSK3A
SCHEMBL21350965 0.90 HPGD (0.59) HPGDHINT1NT5EPNPGSK3A
SCHEMBL23813628 0.90 HPGD (0.59) HPGDHINT1NT5EPNPGSK3A
SCHEMBL1875985 0.88 HPGD (0.71) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL20750695 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL24049467 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL24049417 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL8593215 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL24049608 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A
Guanosine SCHEMBL24049416 0.87 HPGD (0.76) HPGDHINT1NT5EPNPGSK3A

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-20210284679-A1 ß-Modified Phosphoric Acid Compound Precursor, ß-Modified Phosphoric Acid Compound, Reaction Inhibitor and Medicine Containing the Same, and Method for Inhibiting Reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2021-09-16 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-20210284679-A1 ß-Modified Phosphoric Acid Compound Precursor, ß-Modified Phosphoric Acid Compound, Reaction Inhibitor and Medicine Containing the Same, and Method for Inhibiting Reaction IRS1, PPM1A, PPM1G HPGD 4639/4885HINT1 558/4885NT5E 4510/4885

“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.