SCHEMBL23408554

SCHEMBL23408554

COC(=O)[C@H](C)NP(C)(=O)OCCOC(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.32
CA14 Q9ULX7 2/20 0.32
PRKCA P17252 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.31
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23378251 0.79 CA12 (0.33) BTN3A1CA12
SCHEMBL23378043 0.72 CA14 (0.31) CA14
SCHEMBL15760474 0.70 LPAR3 (0.41) BTN3A1PRKCAPOLBGAANPSR1
SCHEMBL4156487 0.69 POLB (0.43) BTN3A1PRKCAPOLBGAANPSR1
SCHEMBL18512735 0.69 BTN3A1 (0.33) BTN3A1CA12
SCHEMBL4258156 0.69 POLB (0.48) BTN3A1PRKCAPOLBGAANPSR1
SCHEMBL19397155 0.68 BTN3A1 (0.35) BTN3A1CA12TSHR
SCHEMBL19235959 0.68 BTN3A1 (0.33) BTN3A1PRKCA
SCHEMBL22820231 0.67 CA14 (0.46) BTN3A1CA14CA12MEN1TSHR
SCHEMBL18512758 0.67 CA12 (0.33) CA14CA12

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-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-05-27 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-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, NOX1 BTN3A1 3970/4885CA14 2039/4885PRKCA 4322/4885

“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.