SCHEMBL21786910

SCHEMBL21786910

CCC(=O)NCC(C)(C)SSCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)OC1CCO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
KRAS P01116 5/20 0.40
HINT1 P49773 5/20 0.40
HPRT1 P00492 2/20 0.38
P2RY2 P41231 1/20 0.37
P2RY4 P51582 1/20 0.37
P2RY6 Q15077 1/20 0.37
HPGD P15428 1/20 0.36
POLA1 P09884 1/20 0.36

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
SCHEMBL24913296 0.87 POLB (0.51) POLBKRASP2RY2P2RY4P2RY6
SCHEMBL21786806 0.86 POLB (0.46) KDM4EPOLBHINT1HPRT1P2RY2
SCHEMBL21787181 0.86 POLB (0.39) POLB
SCHEMBL21787189 0.83 POLB (0.47) KDM4EPOLBHINT1HPRT1P2RY2
SCHEMBL24913494 0.83 POLB (0.47) KDM4EPOLBHINT1HPRT1P2RY2
SCHEMBL24913351 0.82 POLB (0.47) POLBKRASHPRT1P2RY2P2RY4
SCHEMBL21786914 0.81 POLB (0.48) KDM4EPOLBHINT1HPRT1P2RY2
SCHEMBL21786870 0.81 POLB (0.48) KDM4EPOLBHINT1HPRT1P2RY2
SCHEMBL21786838 0.81 POLB (0.37) POLBP2RY2P2RY4P2RY6POLA1
SCHEMBL21787087 0.81 TK1 (0.46)

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 KDM4E 3593/4885POLB 12/4885KRAS 1112/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 KDM4E 3595/4885POLB 11/4885KRAS 1093/4885

“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.