SCHEMBL22288951

SCHEMBL22288951

O=C(O)c1nc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)co1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ PTPN1 P18031 9/20 0.44
▸ CDC25B P30305 8/20 0.44
▸ PTPN2 P17706 5/20 0.44
▸ PTPN11 Q06124 5/20 0.44
▸ PTPN6 P29350 4/20 0.44
▸ TACR2 P21452 3/20 0.43
▸ BCHE P06276 1/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL26658241 0.80 PTPN1 (0.45) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL15972562 0.74 HTR1A (0.49) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL3898367 0.74 NT5E (0.54) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL15968116 0.74 NT5E (0.54) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL12127979 0.74 HTR1A (0.49) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL3898371 0.74 NT5E (0.54) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL17766609 0.74 NT5E (0.54) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL18681815 0.74 HTR1A (0.49) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL24146782 0.73 NT5E (0.49) NT5EHTR1APTPN1CDC25BPTPN2
SCHEMBL19189070 0.73 HTR1A (0.51) NT5EHTR1APTPN1CDC25BPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF JANSSEN BIOPHARMA, LLC 2023-11-16 — — US disclosed
EP-3917922-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF Janssen BioPharma, Inc. (US) 2021-12-08 — — EP disclosed
WO-2020157694-A9 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF Janssen Biopharma, Inc. (US) 2021-11-11 — — WO disclosed
WO-2020157694-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF Janssen Biopharma, Inc. (US) 2020-08-06 — — 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-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF PNP, NUDT1, ADAR NT5E 34/4885HTR1A 2321/4885PTPN1 1323/4885

“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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