SCHEMBL21786758

SCHEMBL21786758

CC(C)C(=O)c1ccc(C(=O)NO)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ DBH P09172 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ HDAC6 Q9UBN7 5/20 0.49
▸ MPO P05164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ LMNA P02545 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
SCHEMBL26167849 0.87 KDM4E (0.61) KDM4EGAADBHRECQLHDAC6
SCHEMBL23734496 0.84 MPO (0.44) KDM4EGAADBHRECQLHDAC6
SCHEMBL15981526 0.83 KDM4E (0.56) KDM4EGAADBHRECQLCA12
SCHEMBL19662391 0.81 HDAC6 (0.53) KDM4EGAAHDAC6MPOSMN1; SMN2
SCHEMBL13830438 0.79 HDAC6 (0.60) KDM4EGAAHDAC6MPOSMN1; SMN2
SCHEMBL24913445 0.77 HDAC6 (0.53) KDM4EGAAHDAC6MPOSMN1; SMN2
SCHEMBL23734165 0.77 HSP90AB1 (0.50) KDM4EGAAHDAC6MPOSMN1; SMN2
SCHEMBL8471397 0.76 KDM4E (1.00) KDM4EGAADBHRECQLHDAC6
SCHEMBL26156261 0.75 GAA (0.59) KDM4EGAADBHRECQLHDAC6
SCHEMBL20135414 0.73 CA12 (0.61) KDM4EGAADBHRECQLSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-25 — — US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — US disclosed
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-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 — — US disclosed
US-20220411860-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-12-29 — — US disclosed
US-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-08-10 — — 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 (6 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-20220411860-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLL, POLQ, POLB KDM4E 4731/4885GAA 2996/4885DBH 991/4885
US-20230028388-A1 DESIGN AND SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS RNGTT, POLRMT, MTR KDM4E 4430/4885GAA 4419/4885DBH 2525/4885
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT KDM4E 3593/4885GAA 1073/4885DBH 2426/4885
US-11085076-B2 Synthesis of novel disulfide linker based nucleotides as reversible terminators for DNA sequencing by synthesis POLRMT, RNGTT, MTR KDM4E 4151/4885GAA 4395/4885DBH 2156/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 KDM4E 3595/4885GAA 1091/4885DBH 2261/4885
US-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLRMT, RNGTT, MTR KDM4E 4151/4885GAA 4395/4885DBH 2156/4885

“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.

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