SCHEMBL24325946

SCHEMBL24325946

CCOC(=O)C1NC(=O)CCCC1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
ALOX12 P18054 1/20 0.34
NPC1 O15118 1/20 0.34
FFAR3 O14843 1/20 0.34
HSD17B10 Q99714 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSD P07339 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 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
SCHEMBL27013031 0.82 CTSD (0.36) ALDH1A1FFAR3APOBEC3AAPOBEC3GCTSD
SCHEMBL8155057 0.78 MEN1 (0.46) ALDH1A1HSD17B10NPSR1CYP2D6MEN1
SCHEMBL7388207 0.78 MEN1 (0.46) ALDH1A1HSD17B10NPSR1CYP2D6MEN1
SCHEMBL7388199 0.78 MEN1 (0.46) ALDH1A1HSD17B10NPSR1CYP2D6MEN1
SCHEMBL8155039 0.78 MEN1 (0.46) ALDH1A1HSD17B10NPSR1CYP2D6MEN1
SCHEMBL7388203 0.78 MEN1 (0.46) ALDH1A1HSD17B10NPSR1CYP2D6MEN1
SCHEMBL24325994 0.77 ALDH1A1 (0.47) ALDH1A1ALOX12NPC1HSD17B10APOBEC3A
SCHEMBL5992612 0.74 LMNA (0.49) ALDH1A1HSD17B10SMN1; SMN2NPSR1HTT
SCHEMBL15265428 0.74 LMNA (0.49) ALDH1A1HSD17B10SMN1; SMN2NPSR1HTT
SCHEMBL13106060 0.74 LMNA (0.49) ALDH1A1HSD17B10SMN1; SMN2NPSR1HTT

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 4 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

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 ALDH1A1 4077/4885ALOX12 3373/4885NPC1 165/4885

“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.