SCHEMBL6745127

SCHEMBL6745127

CCCCOC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](On2ccnc2)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
NT5E P21589 1/20 0.49
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
TGM2 P21980 1/20 0.47
FUT5 Q11128 1/20 0.46
PNP P00491 1/20 0.46
KRAS P01116 6/20 0.45
HPGD P15428 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
SCHEMBL6420501 0.86 HINT1 (0.58) HINT1TAS1R3TAS1R1NT5EGSK3A
SCHEMBL6889003 0.85 HINT1 (0.70) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6245258 0.83 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5347476 0.82 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1425533 0.82 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1424945 0.82 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6241925 0.82 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6239924 0.80 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL6241985 0.80 HINT1 (0.58) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL8623260 0.80 HINT1 (0.53) HINT1TAS1R3TAS1R1NT5EGSK3A

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-20040048826-A1 Oligonucleotides containing 2'-0-modified purines ISIS PHARMACEUTICALS, INC. 2004-03-11 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-20040048826-A1 Oligonucleotides containing 2'-0-modified purines NSUN2, RNMT, HNRNPL HINT1 895/4885TAS1R3 2968/4885TAS1R1 2474/4885

“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.