SCHEMBL24913503

SCHEMBL24913503

CCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1OCSSC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
ENPP1 P22413 2/20 0.42
P2RY1 P47900 1/20 0.42
ADA P00813 1/20 0.41
AHCY P23526 4/20 0.41
NADK O95544 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APEX1 P27695 1/20 0.40
PI4KA P42356 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ADCY1 Q08828 1/20 0.40

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
SCHEMBL24913397 1.00 POLB (0.42) POLBEHMT1ENPP1P2RY1ADA
SCHEMBL21786916 0.93 POLB (0.43) POLBEHMT1ENPP1P2RY1ADA
SCHEMBL21786816 0.85 ADA (0.43) POLBENPP1P2RY1ADAAHCY
SCHEMBL19662777 0.83 ADA (0.47) POLBENPP1P2RY1ADAGAA
SCHEMBL21787189 0.83 POLB (0.47) POLBSTING1
SCHEMBL24913494 0.83 POLB (0.47) POLBSTING1
SCHEMBL19522884 0.83 EHMT1 (0.49) POLBEHMT1ENPP1P2RY1ADA
SCHEMBL23734317 0.82 P2RX3 (0.56) POLBENPP1P2RY1ALDH1A1
SCHEMBL23734155 0.82 P2RX3 (0.56) POLBENPP1P2RY1ALDH1A1
SCHEMBL23734495 0.82 POLB (0.41) POLBENPP1P2RY1ADAAHCY

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 POLB 11/4885EHMT1 1960/4885ENPP1 271/4885

“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.