SCHEMBL23959873

SCHEMBL23959873

N#C[C@@]1(c2cc(C(N)=O)c3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.51
▸ ACVRL1 P37023 2/20 0.35
▸ CSNK2A2 P19784 4/20 0.34
▸ CSNK2A1 P68400 4/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ HSPA8 P11142 1/20 0.32
▸ RIPK1 Q13546 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
SCHEMBL23959861 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1PIK3CD
SCHEMBL23959862 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1
SCHEMBL25826835 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1PIK3CDCDK5CDK5R1
SCHEMBL23959859 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1CDK1CDK2PIK3CD
SCHEMBL23959882 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1PIK3CDCDK5CDK5R1
SCHEMBL23960096 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1PIK3CDCDK5CDK5R1
SCHEMBL23959872 0.85 TMPRSS2 (0.47) TMPRSS2ACVRL1PIK3CDCDK5CDK5R1
Gs-441524 SCHEMBL24975226 0.80 TMPRSS2 (0.60) TMPRSS2ACVRL1CCNA2CDK2CCNA1
Gs-441524 SCHEMBL23870459 0.80 TMPRSS2 (0.60) TMPRSS2ACVRL1CCNA2CDK2CCNA1
Gs-441524 SCHEMBL24667691 0.80 TMPRSS2 (0.60) TMPRSS2ACVRL1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219993-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG VIGONVITA LIFE SCIENCES CO., LTD. (CN) 2023-07-13 — — US disclosed
US-20230219993-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG VIGONVITA LIFE SCIENCES CO., LTD. (CN) 2023-07-13 — — US disclosed
WO-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — 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 (1 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-20230219993-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG PNP, TYMP, PIGS TMPRSS2 145/4885ACVRL1 712/4885CSNK2A2 4006/4885

“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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