SCHEMBL22327329

SCHEMBL22327329

CNCCCOCCOCCOCCNC(=O)c1cccc(OCC(C)(OCCOCC(=O)NCC#CC(C)C)SSC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ F10 P00742 2/20 0.33
▸ SMPD1 P17405 3/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL22598381 1.00 GAA (0.38) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22598280 1.00 GAA (0.38) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22598242 0.94 GAA (0.38) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22327226 0.94 GAA (0.38) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22598257 0.94 GAA (0.38) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL26068370 0.94 GAA (0.37) GAAMAPTALDH1A1KDM4EMAOB
SCHEMBL22327213 0.94 ALDH1A1 (0.35) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22598408 0.94 ALDH1A1 (0.35) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL22327242 0.94 ALDH1A1 (0.35) GAAMAPTALDH1A1KDM4ENSD2
SCHEMBL26167740 0.93 GAA (0.36) GAAMAPTALDH1A1SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 — — US disclosed
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — US disclosed
US-20230028359-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-26 — — US disclosed
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-05 — — US disclosed
US-20220127299-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF LG ELECTRONICS INC. (KR) 2022-04-28 — — US disclosed
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 — — US disclosed
US-10822653-B1 Nucleotide cleavable linkers and uses thereof Singular Genomics Systems, Inc. (US) 2020-11-03 — — US disclosed
US-20200340051-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2020-10-29 — — US disclosed
US-10738072-B1 Nucleotide analogues Singular Genomics Systems, Inc. (US) 2020-08-11 — — 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 (9 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-20200340051-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF NUDT21, CPSF7, DCLRE1A GAA 678/4885MAPT 3729/4885ALDH1A1 3019/4885
US-20230002436-A1 MODIFIED NUCLEOTIDES AND USES THEREOF NUDT1, RNMT, ADAR GAA 668/4885MAPT 4693/4885ALDH1A1 1149/4885
US-20220127299-A1 NUCLEOTIDE CLEAVABLE LINKERS AND USES THEREOF NUDT21, CPSF7, DCLRE1A GAA 678/4885MAPT 3729/4885ALDH1A1 3019/4885
US-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885ALDH1A1 1313/4885
US-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR GAA 668/4885MAPT 4693/4885ALDH1A1 1149/4885
US-10822653-B1 Nucleotide cleavable linkers and uses thereof NUDT21, CPSF7, DCLRE1A GAA 678/4885MAPT 3729/4885ALDH1A1 3019/4885
US-20230028359-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885ALDH1A1 1313/4885
US-10738072-B1 Nucleotide analogues NUDT1, POLN, TYMP GAA 759/4885MAPT 4520/4885ALDH1A1 1629/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 GAA 1026/4885MAPT 4328/4885ALDH1A1 1313/4885

“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.

Send feedback