SCHEMBL24913480

SCHEMBL24913480

C=NCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)(C)SSCOC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.45
POLB P06746 1/20 0.42
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
P2RY6 Q15077 1/20 0.41
FUT5 Q11128 1/20 0.40
TGM2 P21980 1/20 0.38
FUT6 P51993 2/20 0.37
POLG P54098 1/20 0.37
F2 P00734 1/20 0.36
HPRT1 P00492 1/20 0.36

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
SCHEMBL24913347 0.90 CHAT (0.43) POLB
SCHEMBL21787165 0.90 POLB (0.47) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL24913374 0.90 POLB (0.47) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL24913350 0.90 POLB (0.47) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL24913351 0.90 POLB (0.47) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL21786907 0.88 KRAS (0.42) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL21786834 0.87 POLG (0.40) POLBP2RY2P2RY4P2RY6POLG
SCHEMBL24913349 0.87 POLB (0.46) POLB
SCHEMBL24913296 0.85 POLB (0.51) KRASPOLBP2RY2P2RY4P2RY6
SCHEMBL21786807 0.83 P2RY2 (0.43) KRASPOLBP2RY2P2RY4P2RY6

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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 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-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 KRAS 1093/4885POLB 11/4885P2RY2 1489/4885

“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.