SCHEMBL24326534

SCHEMBL24326534

CC(C)CC1CCCC(=O)N(C(=O)OC(C)(C)C)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
FKBP1A P62942 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TOP2A P11388 1/20 0.31
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
TSHR P16473 1/20 0.30
HSD11B1 P28845 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
SCHEMBL24325978 0.79 CHRM2 (0.35) MMP3ADAM17CHRM2CHRM1CHRM3
SCHEMBL24326533 0.78 SMYD2 (0.38)
SCHEMBL16689223 0.78 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL17136867 0.78 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL10025390 0.78 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL21250579 0.78 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL211419 0.77 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL625416 0.77 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL958204 0.77 CHRM2 (0.35) FKBP1ACHRM2CHRM1CHRM3ALDH1A1
SCHEMBL352414 0.76 CHRM2 (0.34) FKBP1ACHRM2CHRM1CHRM3ALDH1A1

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 MMP3 4124/4885ADAM17 2135/4885FKBP1A 3515/4885

“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.