SCHEMBL21786804

SCHEMBL21786804

CC(C)(CNC(=O)CCCCNC(=O)c1ccc(B(O)O)cc1)SSCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.43
P2RY4 P51582 1/20 0.43
P2RY6 Q15077 1/20 0.43
POLB P06746 1/20 0.43
KRAS P01116 10/20 0.42
FUT5 Q11128 1/20 0.41
TGM2 P21980 1/20 0.39
FUT6 P51993 3/20 0.39
TERT O14746 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL21786807 1.00 P2RY2 (0.43) P2RY2P2RY4P2RY6POLBKRAS
SCHEMBL19662597 1.00 P2RY2 (0.43) P2RY2P2RY4P2RY6POLBKRAS
SCHEMBL21787154 0.90 CHAT (0.43) POLB
SCHEMBL21787153 0.90 CHAT (0.43) POLB
SCHEMBL19662642 0.87 POLG (0.43) P2RY2P2RY4P2RY6POLB
SCHEMBL21787151 0.87 POLG (0.43) P2RY2P2RY4P2RY6POLB
SCHEMBL19662528 0.87 POLG (0.43) P2RY2P2RY4P2RY6POLB
SCHEMBL24913296 0.86 POLB (0.51) P2RY2P2RY4P2RY6POLBKRAS
SCHEMBL21787059 0.86 POLB (0.46) POLB
SCHEMBL21787055 0.86 POLB (0.46) POLB

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 P2RY2 1781/4885P2RY4 1125/4885P2RY6 1412/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 P2RY2 1489/4885P2RY4 924/4885P2RY6 1119/4885

“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.