SCHEMBL14178455

SCHEMBL14178455

Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3NC(=O)CSSc3ccccn3)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 10/20 0.56
TGM2 P21980 1/20 0.55
FUT5 Q11128 1/20 0.54
P2RY2 P41231 2/20 0.52
P2RY4 P51582 2/20 0.52
P2RY6 Q15077 2/20 0.52
FUT6 P51993 4/20 0.51
P2RY14 Q15391 1/20 0.51
NT5E P21589 1/20 0.50

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
SCHEMBL14178456 0.90 KRAS (0.61) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178454 0.89 KRAS (0.60) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178465 0.86 KRAS (0.64) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178471 0.86 FUT5 (0.61) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178443 0.85 P2RY14 (0.71) P2RY2P2RY4P2RY6P2RY14
SCHEMBL29521199 0.85 P2RY2 (0.67) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178476 0.84 KRAS (0.51) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178449 0.84 KRAS (0.61) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL14178453 0.84 KRAS (0.55) KRASTGM2FUT5P2RY2P2RY4
SCHEMBL30973673 0.81 FUT5 (0.73) KRASTGM2FUT5P2RY2P2RY4

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-20080108557-A1 Modified Proteins NOVO NORDISK HEALTHCARE A/G (CH) 2008-05-08 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-20080108557-A1 Modified Proteins PTMS, DNPEP, STT3A KRAS 3761/4885TGM2 111/4885FUT5 198/4885

“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.