SCHEMBL30646415

SCHEMBL30646415

CC(C)(C)OC(=O)c1nsc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1[Sn](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.42
▸ NT5E P21589 1/20 0.42
▸ PTPN1 P18031 12/20 0.42
▸ CDC25B P30305 10/20 0.42
▸ PTPN2 P17706 7/20 0.42
▸ CDC25A P30304 3/20 0.42
▸ PTPN6 P29350 3/20 0.42
▸ PTPN11 Q06124 3/20 0.42
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL26658247 0.89 TACR2 (0.44) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL30646414 0.88 TACR2 (0.43) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL30646410 0.79 TACR2 (0.45) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL26658237 0.77 TACR2 (0.44) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22704686 0.73 TACR2 (0.51) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288934 0.70 TACR2 (0.53) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288955 0.69 PTPN1 (0.45) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288945 0.69 TACR2 (0.56) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL15514995 0.68 PTPN1 (0.55) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL26658233 0.68 TACR2 (0.44) TACR2NT5EPTPN1CDC25BPTPN2

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-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF JANSSEN BIOPHARMA, LLC 2023-11-16 — — 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-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF PNP, NUDT1, ADAR TACR2 4856/4885NT5E 34/4885PTPN1 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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