SCHEMBL24326331

SCHEMBL24326331

CC(C)C[C@H]1NC(=O)CN(Cc2ccccc2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
PAX8 Q06710 1/20 0.51
CCR5 P51681 14/20 0.51
TACR1 P25103 2/20 0.41
OPRK1 P41145 2/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL24325760 1.00 GAA (0.51) GAAHTTPAX8CCR5TACR1
SCHEMBL4631083 0.80 GAA (0.59) GAAHTTPAX8CCR5OPRK1
SCHEMBL3492685 0.80 GAA (0.59) GAAHTTPAX8CCR5OPRK1
SCHEMBL4631086 0.80 GAA (0.59) GAAHTTPAX8CCR5OPRK1
SCHEMBL24326249 0.76 FUCA1 (0.47) GAAHTTPAX8CCR5TACR1
SCHEMBL24326161 0.76 FUCA1 (0.47) GAAHTTPAX8CCR5TACR1
SCHEMBL24326232 0.76 FUCA1 (0.47) GAAHTTPAX8CCR5TACR1
SCHEMBL8294589 0.72 ACHE (0.53) GAATACR1SIGMAR1
SCHEMBL3318028 0.72 ACHE (0.46) GAATACR1SIGMAR1
SCHEMBL3318031 0.72 ACHE (0.46) GAATACR1SIGMAR1

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 GAA 1045/4885HTT 3899/4885PAX8 4066/4885

“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.