SCHEMBL24323568

SCHEMBL24323568

CC(C)C[C@H](CO)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.40
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
REN P00797 1/20 0.31
MMP13 P45452 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
SCHEMBL8196748 1.00 AAK1 (0.40) AAK1GAAL3MBTL1CTSLCTSB
SCHEMBL18248093 1.00 AAK1 (0.40) AAK1GAAL3MBTL1CTSLCTSB
SCHEMBL13996127 0.91 AAK1 (0.42) AAK1GAAL3MBTL1CTSLCTSB
SCHEMBL19390307 0.87 HDAC6 (0.36) AAK1GAACTSLCTSBCTSS
SCHEMBL22502780 0.85 AAK1 (0.34) AAK1CA1CA2HDAC6HDAC1
SCHEMBL8079058 0.85 AAK1 (0.42) AAK1CTSLCTSBCTSSCTSK
SCHEMBL25177947 0.83 AAK1 (0.39) AAK1CTSLCTSBCTSSCTSK
SCHEMBL13999424 0.83 AAK1 (0.39) AAK1CTSLCTSBCTSSCTSK
SCHEMBL17571449 0.82 HDAC6 (0.33) AAK1CTSSCTSKCA1CA2
SCHEMBL16281193 0.81 HDAC6 (0.33) AAK1HDAC6HDAC1HDAC2MMP13

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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AAK1 3768/4885GAA 1041/4885L3MBTL1 4050/4885

“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.