SCHEMBL24326319

SCHEMBL24326319

COC(=O)/C=C/C[C@@H]1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
HCAR2 Q8TDS4 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TBXA2R P21731 1/20 0.33
TBXAS1 P24557 2/20 0.32
NAMPT P43490 3/20 0.32

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
SCHEMBL26324104 0.85 CA2 (0.39) CA2HCAR2ALDH1A1NPSR1TMEM97
SCHEMBL17888069 0.85 CA2 (0.39) CA2HCAR2ALDH1A1NPSR1TMEM97
SCHEMBL23927695 0.83 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL23927697 0.83 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL5973123 0.83 CA2 (0.41) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL16994444 0.81 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL17048416 0.81 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL15701847 0.81 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL18356862 0.81 CA2 (0.47) CA2HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL28635106 0.79 HCAR2 (0.44) HCAR2KEAP1NFE2L2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-A1 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CA2 2703/4885HCAR2 2394/4885KEAP1 937/4885

“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.