SCHEMBL21332573

SCHEMBL21332573

CCC(CC)COC(=O)C(NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CTSS P25774 3/20 0.50
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
PSENEN Q9NZ42 1/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CYP2D6 P10635 1/20 0.42
PREP P48147 1/20 0.41
TRPA1 O75762 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL21332574 1.00 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL7893209 0.87 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL7888254 0.87 CTSK (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL1515310 0.86 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL16658566 0.86 CTSK (0.54) CTSKCTSSCA2CA1CA7
SCHEMBL13030925 0.85 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL13030924 0.85 CTSK (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL3727156 0.84 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL29831011 0.84 CA1 (0.45) CTSKCTSSCA2CA1CA7
SCHEMBL2721327 0.84 CTSK (0.55) CTSKCTSSCA2CA1CA7

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 5 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
CN-112105624-B Treatment of cancer using (2, 2-dihydroxymethyl) methylene cyclopropane nucleotides 美迪维尔公司 2023-09-22 CN 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 2840/4885CA2 2702/4885
US-20200399295-A1 CANCER TREATMENT WITH (2,2-BISHYDROXYMETHYL) METHYLENECYCLOPROPANE NUCLEOTIDES PNP, NUDT1, TYMP CTSK 3925/4885CTSS 2840/4885CA2 2702/4885

“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.