SCHEMBL24325978

SCHEMBL24325978

CC(C)C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MMP3 P08254 1/20 0.32
ADAM17 P78536 1/20 0.32
ELANE P08246 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ACE P12821 2/20 0.32
MME P08473 1/20 0.32
NR1H2 P55055 1/20 0.31
KLK7 P49862 1/20 0.30
KLK5 Q9Y337 1/20 0.30
ALDH1A1 P00352 2/20 0.30
DPP4 P27487 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL28652133 0.82 CHRM2 (0.32) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL24326534 0.79 MMP3 (0.34) CHRM2CHRM1CHRM3MMP3ADAM17
SCHEMBL27025284 0.78 CHRM2 (0.33) CHRM2CHRM1CHRM3MMP3ADAM17
SCHEMBL958204 0.74 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL625416 0.74 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL211419 0.74 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEDDB1
SCHEMBL8021097 0.74 CHRM2 (0.42) CHRM2CHRM1CHRM3MMP3ADAM17
SCHEMBL24326501 0.73 USP30 (0.34)
SCHEMBL2197525 0.73 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEGPR119
SCHEMBL2197519 0.73 CHRM2 (0.35) CHRM2CHRM1CHRM3ELANEGPR119

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-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
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 CHRM2 1067/4885CHRM1 1920/4885CHRM3 335/4885

“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.