SCHEMBL25893000

SCHEMBL25893000

[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCC1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)cc43)C(O)C2O)C(O)C(O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.48
B4GALT1 P15291 4/20 0.46
FUT5 Q11128 1/20 0.44
P2RX3 P56373 2/20 0.44
TGM2 P21980 1/20 0.44
P2RY2 P41231 4/20 0.43
P2RY1 P47900 3/20 0.43
SRC P12931 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RY14 Q15391 5/20 0.42
P2RY6 Q15077 2/20 0.42
P2RY4 P51582 1/20 0.42

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
SCHEMBL25892999 1.00 KRAS (0.48) KRASB4GALT1FUT5P2RX3TGM2
SCHEMBL25892983 0.92 KRAS (0.50) KRASB4GALT1FUT5P2RX3TGM2
SCHEMBL25892998 0.91 KRAS (0.49) KRASB4GALT1FUT5P2RX3TGM2
SCHEMBL25892798 0.90 KRAS (0.61) KRASFUT5P2RX3TGM2P2RY2
SCHEMBL25892795 0.90 KRAS (0.61) KRASFUT5P2RX3TGM2P2RY2
SCHEMBL25893054 0.86 KRAS (0.47) KRASB4GALT1FUT5P2RX3TGM2
SCHEMBL25893057 0.85 B4GALT1 (0.46) KRASB4GALT1FUT5TGM2P2RY2
SCHEMBL25893034 0.85 B4GALT1 (0.46) KRASB4GALT1FUT5TGM2P2RY2
SCHEMBL25893131 0.85 B4GALT1 (0.46) KRASB4GALT1FUT5TGM2P2RY2
SCHEMBL25893051 0.85 KRAS (0.51) KRASFUT5P2RX3TGM2P2RY2

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-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-07-27 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-20230235082-A1 SITE-SPECIFIC ANTIBODY CONJUGATES AND THE METHODS FOR PREPARATION OF THE SAME FUT5, FUT6, SIGLEC7 KRAS 4257/4885B4GALT1 41/4885FUT5 1/4885

“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.