SCHEMBL23959856

SCHEMBL23959856

CC(=O)[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.38
▸ CDC25B P30305 7/20 0.38
▸ BCHE P06276 1/20 0.37
▸ RIPK1 Q13546 4/20 0.36
▸ HSPA5 P11021 1/20 0.35
▸ PTPN2 P17706 3/20 0.35
▸ PTPN6 P29350 3/20 0.35
▸ PTPN11 Q06124 3/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ TACR2 P21452 1/20 0.34

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
SCHEMBL23960116 0.92 HSPA5 (0.35) PTPN1CDC25BBCHERIPK1HSPA5
SCHEMBL27086454 0.86 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL12243141 0.86 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL12393373 0.86 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL31063739 0.86 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL12393257 0.85 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL18636443 0.85 PDE2A (0.37) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL14039002 0.84 PDE2A (0.37) PTPN1CDC25BHSPA5PTPN2PTPN6
SCHEMBL25826686 0.84 PDE2A (0.36) PTPN1CDC25BBCHEHSPA5PTPN2
SCHEMBL12393377 0.84 PTPN1 (0.36) PTPN1CDC25BBCHEHSPA5PTPN2

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-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 PTPN1 2048/4885CDC25B 880/4885BCHE 1889/4885

“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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