SCHEMBL25367681

SCHEMBL25367681

CN1CCC(NC(=O)OC(C)(C)C)CC1(C)C(=O)O.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
BTK Q06187 1/20 0.44
HSD11B1 P28845 9/20 0.43
CYP2C9 P11712 1/20 0.43
KCNA3 P22001 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 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
SCHEMBL26041859 0.99 CTSK (0.48) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL25368817 0.87 CTSK (0.47) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL29440881 0.86 CTSK (0.46) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL26650258 0.76 CTSK (0.43) CTSKBTKHSD11B1CYP2C9CA1
SCHEMBL854270 0.74 HSD11B1 (0.41) CTSKBTKHSD11B1CYP2C9CA1
SCHEMBL359203 0.74 CTSK (0.59) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL18901529 0.73 BTK (0.49) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL14100893 0.73 BTK (0.49) CTSKBTKHSD11B1CYP2C9KCNA3
Acetic Acid SCHEMBL8483326 0.73 CTSK (0.55) CTSKBTKHSD11B1CYP2C9KCNA3
SCHEMBL19547113 0.72 BTK (0.50) CTSKBTKHSD11B1CA1CA2

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-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
CN-116348472-A Macrocyclic compounds 旭化成制药株式会社 2023-06-27 CN 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-20230357271-A1 MACROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CTSK 2804/4885BTK 108/4885HSD11B1 1812/4885

“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.