SCHEMBL22278899

SCHEMBL22278899

C=C1[C@@H]2C(O)C2C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.52
▸ PNP P00491 2/20 0.48
▸ STING1 Q86WV6 3/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ HPRT1 P00492 2/20 0.45
▸ HINT1 P49773 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL13794857 0.87 PNP (0.52) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL9223878 0.84 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL9223882 0.84 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL852431 0.83 PNP (0.50) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL24257989 0.82 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
SCHEMBL22110944 0.82 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
Entecavir Anhydrous SCHEMBL21510623 0.81 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
Entecavir Anhydrous SCHEMBL21347868 0.81 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
Entecavir Anhydrous SCHEMBL3436985 0.81 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A
Entecavir Anhydrous SCHEMBL19644968 0.81 ADORA3 (0.52) ADORA3PNPSTING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239513-A1 LONG-ACTING PRODRUGS OF ENTECAVIR, PREPARING METHODS AND USES THEREOF GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD (CN) 2020-07-30 — — 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 (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-20200239513-A1 LONG-ACTING PRODRUGS OF ENTECAVIR, PREPARING METHODS AND USES THEREOF ENTPD5, ENTPD1, TYMP ADORA3 199/4885PNP 4/4885STING1 2372/4885

“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