SCHEMBL21786914

SCHEMBL21786914

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)CC1OCSSC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.43
HINT1 P49773 3/20 0.43
HPRT1 P00492 1/20 0.42
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
P2RY6 Q15077 1/20 0.41
FUT5 Q11128 1/20 0.40
HPGD P15428 1/20 0.40
NT5E P21589 1/20 0.40
STING1 Q86WV6 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL21786870 1.00 POLB (0.48) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL21787189 0.93 POLB (0.47) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL24913494 0.93 POLB (0.47) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL21787137 0.90 POLB (0.46) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL23734250 0.85 POLB (0.58) POLBHPRT1P2RY2P2RY4P2RY6
SCHEMBL23734156 0.85 POLB (0.58) POLBHPRT1P2RY2P2RY4P2RY6
SCHEMBL21787190 0.85 POLB (0.58) POLBHPRT1P2RY2P2RY4P2RY6
SCHEMBL21786806 0.85 POLB (0.46) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL23734486 0.85 POLB (0.45) POLBKDM4EHINT1HPRT1P2RY2
SCHEMBL23734340 0.84 KDM4E (0.53) POLBKDM4EHINT1HPRT1P2RY2

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 12/4885KDM4E 3593/4885HINT1 250/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 POLB 11/4885KDM4E 3595/4885HINT1 227/4885

“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.