SCHEMBL16840874

SCHEMBL16840874

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1NO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.50
▸ NT5E P21589 1/20 0.48
▸ TGM2 P21980 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ KRAS P01116 5/20 0.45
▸ PNP P00491 1/20 0.44
▸ STING1 Q86WV6 1/20 0.44

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
SCHEMBL16840873 0.93 HINT1 (0.48) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL22577507 0.90 HINT1 (0.51) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL25813664 0.90 HINT1 (0.51) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL27216242 0.90 HINT1 (0.51) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL24377170 0.90 HINT1 (0.58) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL26209875 0.88 HINT1 (0.50) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL25613000 0.88 HINT1 (0.49) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL16844106 0.88 HINT1 (0.49) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL26211531 0.87 HINT1 (0.49) HINT1NT5ETGM2TAS1R3TAS1R1
SCHEMBL20017125 0.86 STING1 (0.49) HINT1NT5ETGM2TAS1R3TAS1R1

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 2 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-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 505/4885TGM2 1325/4885

“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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