SCHEMBL21345149

SCHEMBL21345149

CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(-n3cncn3)nc2=O)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
RXFP1 Q9HBX9 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 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
SCHEMBL21346049 0.88 ALDH1A1 (0.32) ALDH1A1RXFP1
SCHEMBL24781048 0.86 ALDH1A1 (0.40) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781018 0.86 ALDH1A1 (0.35) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780302 0.85 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780873 0.84 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780839 0.84 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24781001 0.84 ALDH1A1 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL24780875 0.84 P2RY2 (0.34) ALDH1A1RXFP1P2RX1P2RX3P2RX4
SCHEMBL21345593 0.83 MEN1 (0.36) ALDH1A1LMNATDP1CCNT1CCNK
SCHEMBL21055674 0.83 MEN1 (0.36) ALDH1A1LMNATDP1CCNT1CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025938-A1 NOVEL FORMS OF ANTIVIRAL NUCLEOSIDES MERCK SHARP & DOHME LLC 2024-01-25 US disclosed
US-20240025938-A1 NOVEL FORMS OF ANTIVIRAL NUCLEOSIDES MERCK SHARP & DOHME LLC 2024-01-25 US disclosed
WO-2023070058-A1 TREATMENT OF VIRUSES WITH ANTIVIRAL NUCLEOSIDES MERCK SHARP & DOHME LLC (US) 2023-04-27 WO disclosed
WO-2022262845-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 WO disclosed
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-07 US disclosed
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 US disclosed
WO-2021159044-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2021-08-12 WO disclosed
WO-2021137913-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-07-08 WO disclosed
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO 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 (4 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-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 ALDH1A1 1847/4885RXFP1 3082/4885P2RX1 215/4885
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 ALDH1A1 1480/4885RXFP1 4134/4885P2RX1 246/4885
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO TYMP, MTAP, DCTD ALDH1A1 2860/4885RXFP1 4802/4885P2RX1 622/4885
US-20240025938-A1 NOVEL FORMS OF ANTIVIRAL NUCLEOSIDES UMPS, UPP1, UCK2 ALDH1A1 1431/4885RXFP1 2682/4885P2RX1 2335/4885

“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.