SCHEMBL24326328

SCHEMBL24326328

FC(F)(F)c1ccc(Br)c(C2OCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTR1A P08908 1/20 0.37
KIF11 P52732 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TERT O14746 1/20 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
SCHEMBL29570815 0.83 KIF11 (0.36) KIF11ALDH1A1LMNA
SCHEMBL3215679 0.83 KIF11 (0.36) KIF11ALDH1A1LMNA
SCHEMBL10107187 0.81 PNMT (0.45) PNMTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31310705 0.77 CHRNB2 (0.47) PNMTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1875659 0.77 KDM1A (0.35) CHRNB2CHRNA4CHRNB4CHRNA3HTR2A
SCHEMBL16311794 0.77 CHRNB2 (0.47) PNMTCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30228097 0.77 KDM1A (0.35) CHRNB2CHRNA4CHRNB4CHRNA3HTR2A
SCHEMBL478331 0.73 NPC1 (0.36) CHRNB2CHRNA4KIF11HTR2AHTR2C
SCHEMBL30601262 0.73 NPC1 (0.36) CHRNB2CHRNA4KIF11HTR2AHTR2C
SCHEMBL30739381 0.73 CHRNB2 (0.34) CHRNB2CHRNA4HTR2CHTR2BCA1

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
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-111269147-B Chiral phosphine nitrogen phosphine ligand and chiral metal organic coordination complex and application thereof 浙江工业大学 2022-03-18 CN disclosed
CN-111269147-A Chiral phosphine nitrogen phosphine ligand and chiral metal organic coordination complex and application thereof 浙江工业大学 2020-06-12 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PNMT 3623/4885CHRNB2 1645/4885CHRNA4 2010/4885

“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.