Sugi Predict

Sugi Predict / Compounds / SCHEMBL21787219

SCHEMBL21787219

SCHEMBL21787219

Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCc3ccc(/N=N/C4=CCC(C(=O)NCC(C)(C)SSCOCC#Cc5cn([C@H]6CC(OCSSC(C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O6)c(=O)nc5N)C=C4)c(O)c3)=[N+]1[B-]2(F)F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ P2RY2 P41231 1/20 0.30
▸ SLC5A2 P31639 1/20 0.30

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
SCHEMBL21787222 0.80 JAK2 (0.44) JAK2P2RY2SLC5A2
SCHEMBL21786988 0.77 — —
SCHEMBL21787056 0.74 JAK2 (0.49) JAK2P2RY2SLC5A2
SCHEMBL23734382 0.70 POLG (0.33) P2RY2
SCHEMBL23734202 0.70 POLB (0.34) —
SCHEMBL23734227 0.69 POLG (0.40) P2RY2
SCHEMBL24906032 0.68 POLG (0.34) P2RY2
SCHEMBL24905783 0.68 POLG (0.41) P2RY2
SCHEMBL23734146 0.68 POLG (0.41) P2RY2
SCHEMBL23734383 0.67 F2 (0.38) —

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 2 patents. 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
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 — — 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 (2 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT JAK2 1849/4885P2RY2 1781/4885SLC5A2 2125/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 JAK2 2078/4885P2RY2 1489/4885SLC5A2 1563/4885

“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.