SCHEMBL21786856

SCHEMBL21786856

B[C@H]1CC(OCSSC(C)(C)I)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35
POLD1 P28340 1/20 0.35
P2RY2 P41231 15/20 0.33
P2RY4 P51582 5/20 0.33
P2RY6 Q15077 2/20 0.33
RNASEL Q05823 2/20 0.32
ENPP1 P22413 1/20 0.31
P2RY1 P47900 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RY11 Q96G91 1/20 0.31
P2RX4 Q99571 1/20 0.31

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
SCHEMBL24730070 0.88 P2RY2 (0.32) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL18841214 0.88 P2RY2 (0.36) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL26333283 0.88 P2RY2 (0.36) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL24896013 0.88 P2RY2 (0.36) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL24023320 0.87 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL26333300 0.87 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL24730939 0.86 P2RY2 (0.32) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL21786920 0.85 P2RY2 (0.30) POLBPOLA1POLD1P2RY2P2RY4
SCHEMBL23197863 0.85 POLB (0.30) POLBPOLA1POLD1
SCHEMBL19663243 0.84

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 POLB 12/4885POLA1 126/4885POLD1 295/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLB 11/4885POLA1 142/4885POLD1 308/4885

“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.