SCHEMBL12393377

SCHEMBL12393377

Nc1ncnn2c([C@]3(CO)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.36
▸ CDC25B P30305 8/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ HSPA5 P11021 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ PTPN2 P17706 4/20 0.33
▸ PTPN6 P29350 4/20 0.33
▸ PTPN11 Q06124 4/20 0.33
▸ GJB2 P29033 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL13532039 0.92 TNK2 (0.33) TNK2
SCHEMBL25826686 0.91 PDE2A (0.36) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL20144177 0.89 PDE2A (0.36) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL12243141 0.88 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL31063739 0.88 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL12393373 0.88 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL27086454 0.88 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL14039002 0.86 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL24158288 0.86 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A
SCHEMBL12393257 0.86 PDE2A (0.37) PTPN1CDC25BPDE2AHSPA5HTR1A

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 5 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
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 — — 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 (2 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-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 PTPN1 317/4885CDC25B 1492/4885PDE2A 2899/4885
US-20230219993-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG PNP, TYMP, PIGS PTPN1 2048/4885CDC25B 880/4885PDE2A 536/4885

“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