Sugi Predict

Sugi Predict / Compounds / SCHEMBL24913477

SCHEMBL24913477

SCHEMBL24913477

CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(C)(C)SSCOC3C[C@H](N4C=CC(N)=NC4)O[C@@H]3COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1[B-]2(F)F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 6/20 0.34
▸ JAK2 O60674 1/20 0.33

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
SCHEMBL21786903 0.89 POLG (0.35) ESRRAJAK2
SCHEMBL21786902 0.88 JAK2 (0.43) JAK2
SCHEMBL21786904 0.87 POLB (0.38) ESRRAJAK2
SCHEMBL21787069 0.86 KRAS (0.39) ESRRAJAK2
SCHEMBL21787157 0.84 POLG (0.38) JAK2
SCHEMBL21786899 0.83 JAK2 (0.33) ESRRAJAK2
SCHEMBL21786784 0.83 JAK2 (0.45) JAK2
SCHEMBL21787159 0.82 POLB (0.42) JAK2
SCHEMBL21786901 0.81 P2RY2 (0.40) JAK2
SCHEMBL21786830 0.71 CHAT (0.45) —

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 ESRRA 2723/4885JAK2 2078/4885

“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.