SCHEMBL21332799

SCHEMBL21332799

CCCC(C)OC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 3/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PSENEN Q9NZ42 1/20 0.41
KLK5 Q9Y337 1/20 0.41
CYP2D6 P10635 1/20 0.41
PREP P48147 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
SCHEMBL21340817 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL21332796 1.00 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL21332922 0.85 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL20118769 0.85 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL21341197 0.85 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL21332920 0.85 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL20118765 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL22364357 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL22364358 0.84 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL18075260 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7

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-12221459-B2 Cancer treatment with (2,2-bishydroxymethyl) methylenecyclopropane nucleotides MEDIVIR AB (SE) 2025-02-11 US disclosed
EP-3762394-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES Medivir Aktiebolag (SE) 2021-01-13 EP disclosed
US-20200399295-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES MEDIVIR AB (SE) 2020-12-24 US disclosed
WO-2019172835-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES MEDIVIR AKTIEBOLAG (SE) 2019-09-12 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 (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-12221459-B2 Cancer treatment with (2,2-bishydroxymethyl) methylenecyclopropane nucleotides PNP, NUDT1, TYMP CTSK 3925/4885CTSS 2840/4885CA1 4111/4885
US-20200399295-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES PNP, NUDT1, TYMP CTSK 3925/4885CTSS 2840/4885CA1 4111/4885

“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.