SCHEMBL24326400

SCHEMBL24326400

COC(=O)C1C(CC(C)C)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP3 P08254 1/20 0.37
ADAM17 P78536 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL24326401 0.82 HSD17B10 (0.43) KMT2ASMN1; SMN2ALDH1A1HSD17B10POLB
SCHEMBL24325416 0.81 HSD17B10 (0.42) KMT2ASMN1; SMN2ALDH1A1HSD17B10POLB
SCHEMBL19207081 0.80 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL13216272 0.80 ALDH1A1 (0.43) KMT2ASMN1; SMN2ALDH1A1HSD17B10POLB
SCHEMBL27341786 0.79 HSD17B10 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL27341788 0.79 HSD17B10 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL2965236 0.79 HSD17B10 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL27341767 0.79 HSD17B10 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL13216436 0.79 HSD17B10 (0.45) KMT2ASMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL8441504 0.78 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2ALDH1A1HSD17B10MEN1

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 7 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
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 KMT2A 4667/4885SMN1; SMN2 4787/4885ALDH1A1 4077/4885

“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.