SCHEMBL22288944

SCHEMBL22288944

O=S(=O)(Oc1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)sn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ PTPN1 P18031 7/20 0.38
▸ CDC25B P30305 7/20 0.38
▸ PTPN2 P17706 4/20 0.38
▸ PTPN6 P29350 4/20 0.38
▸ PTPN11 Q06124 4/20 0.38
▸ TACR2 P21452 3/20 0.38
▸ TP53 P04637 2/20 0.35
▸ MDM2 Q00987 2/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 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
SCHEMBL22288955 0.78 PTPN1 (0.45) CA1CA2CA9HTR1ANT5E
SCHEMBL12425693 0.78 DRD2 (0.42) CA1CA2CA9HTR1ANT5E
SCHEMBL13201198 0.78 DRD2 (0.42) CA1CA2CA9HTR1ANT5E
SCHEMBL30646410 0.75 TACR2 (0.45) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL22349186 0.72 NT5E (0.45) CA1CA2CA9HTR1ANT5E
SCHEMBL5515070 0.72 CA1 (0.41) CA1CA2CA9HTR1ANT5E
SCHEMBL5981881 0.71 SSTR1 (0.54) CA1CA2CA9NT5EPTPN1
SCHEMBL21880793 0.71 SSTR1 (0.54) CA1CA2CA9NT5EPTPN1
SCHEMBL17039881 0.71 SSTR1 (0.54) CA1CA2CA9NT5EPTPN1
SCHEMBL21837297 0.71 SSTR1 (0.54) CA1CA2CA9NT5EPTPN1

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 CA1 4821/4885CA2 4771/4885CA9 2978/4885

“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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