SCHEMBL16840848

SCHEMBL16840848

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.64
▸ NT5E P21589 1/20 0.64
▸ GSK3A P49840 2/20 0.60
▸ RPS6KA3 P51812 2/20 0.60
▸ MAPK14 Q16539 2/20 0.60
▸ TGM2 P21980 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PNP P00491 1/20 0.57
▸ KRAS P01116 2/20 0.53
▸ STING1 Q86WV6 2/20 0.53
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ IMPDH2 P12268 1/20 0.53
▸ IMPDH1 P20839 1/20 0.53
▸ FUT5 Q11128 1/20 0.53

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
SCHEMBL25385527 0.88 HPGD (0.57) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL9116032 0.87 HINT1 (0.66) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL278157 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL20750695 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL5550180 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049417 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049416 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049608 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049467 0.87 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL16114035 0.87 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 — — US disclosed
US-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 — — US disclosed
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-06-25 — — US disclosed
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-06-25 — — 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-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE MRPL21, PGLS, CFTR HINT1 1449/4885NT5E 505/4885GSK3A 4501/4885

“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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