SCHEMBL7209722

SCHEMBL7209722

C#C[C@]1(COCc2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ P2RY2 P41231 4/20 0.34
▸ P2RY12 Q9H244 3/20 0.34
▸ P2RY6 Q15077 2/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32
▸ DUT P33316 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
SCHEMBL7214746 1.00 NT5E (0.43) NT5ETDP1P2RY2P2RY12P2RY6
SCHEMBL13396754 1.00 NT5E (0.43) NT5ETDP1P2RY2P2RY12P2RY6
SCHEMBL24371466 0.93 NT5E (0.36) NT5ETDP1P2RY2P2RY6
SCHEMBL21418831 0.93 NT5E (0.36) NT5ETDP1P2RY2P2RY6
SCHEMBL21418828 0.93 NT5E (0.36) NT5ETDP1P2RY2P2RY6
SCHEMBL24244849 0.88 TK1 (0.38) NT5E
SCHEMBL24244831 0.88 TK1 (0.38) NT5E
SCHEMBL24499108 0.88 TK1 (0.38) NT5E
SCHEMBL22609164 0.87 TDP1 (0.38) NT5ETDP1P2RY2P2RY12P2RY6
SCHEMBL23054812 0.87 TDP1 (0.38) NT5ETDP1P2RY2P2RY12P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177201-B1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 — — EP disclosed
EP-1177202-B1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 — — EP disclosed
US-6403568-B1 FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) YAMASA CORPORATION (JP) 2002-06-11 — — US disclosed
US-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds OHRUI HIROSHI (JP) 2002-02-21 — — US disclosed
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 — — EP disclosed
US-6333315-B1 FOR THERAPY OF AIDS(ACQUIRE IMMUNODEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-12-25 — — US disclosed
US-6291670-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-09-18 — — US disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 — — 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-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds PNP, TYMP, NUDT1 NT5E 32/4885TDP1 315/4885P2RY2 161/4885

“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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