SCHEMBL30511486

SCHEMBL30511486

COC(=O)[C@H](C)NP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.41
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL30770567 0.93 BTN3A1 (0.42) BTN3A1CA1CA2BCHEACHE
SCHEMBL17198685 0.92 CA1 (0.38) CA1CA2BCHEACHEALDH1A1
SCHEMBL23391326 0.91 CA1 (0.39) BTN3A1CA1CA2BCHEACHE
SCHEMBL23391186 0.91 CA1 (0.39) BTN3A1CA1CA2BCHEACHE
SCHEMBL30770573 0.85 BTN3A1 (0.40) BTN3A1CA1CA2BCHEACHE
SCHEMBL18263734 0.84 CA1 (0.36) CA1CA2BCHEACHEALDH1A1
SCHEMBL20213235 0.84 CA1 (0.36) CA1CA2BCHEACHEALDH1A1
SCHEMBL31279781 0.84 CA1 (0.39) CA1CA2BCHEACHEALDH1A1
SCHEMBL18742082 0.81 CA1 (0.51) BTN3A1CA1CA2BCHEACHE
SCHEMBL23391231 0.81 BTN3A1 (0.43) BTN3A1CA1CA2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202850-B2 Cyclobutyl purine derivative or salt thereof FUJIFILM CORPORATION (JP) 2025-01-21 — — US disclosed
US-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2023-09-21 — — US disclosed
EP-3831836-B1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2023-09-06 — — EP 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 (2 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-20230295202-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, SLC29A1 BTN3A1 4119/4885CA1 1860/4885CA2 1567/4885
US-12202850-B2 Cyclobutyl purine derivative or salt thereof SLC28A1, SLC20A1, SLC29A1 BTN3A1 4119/4885CA1 1860/4885CA2 1567/4885

“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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