SCHEMBL21786871

SCHEMBL21786871

CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1OCSSC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 5/20 0.42
SLC28A1 O00337 1/20 0.35
SLC28A2 O43868 1/20 0.35
SLC29A1 Q99808 1/20 0.35
SLC28A3 Q9HAS3 1/20 0.35
TK1 P04183 2/20 0.35
RNASE1 P07998 1/20 0.35
P2RY2 P41231 3/20 0.34
P2RY6 Q15077 2/20 0.34
P2RY4 P51582 2/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL21786906 0.84 TK1 (0.52) TK1RNASE1
SCHEMBL24905837 0.83 P2RY2 (0.56) DUTP2RY2P2RY6P2RY4P2RY14
SCHEMBL23734157 0.83 P2RY2 (0.56) DUTP2RY2P2RY6P2RY4P2RY14
SCHEMBL21786869 0.81 POLB (0.43) SLC29A1P2RY2P2RY6P2RY4
SCHEMBL21787138 0.81 POLB (0.43) SLC29A1P2RY2P2RY6P2RY4
SCHEMBL26268704 0.81 DUT (0.47) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL12015134 0.81 DUT (0.47) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL12087561 0.81 DUT (0.47) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL23102038 0.80 DUT (0.46) DUTSLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL23188292 0.80 DUT (0.46) DUTSLC28A1SLC28A2SLC29A1SLC28A3

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-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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT DUT 21/4885SLC28A1 132/4885SLC28A2 122/4885

“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.