SCHEMBL24326337

SCHEMBL24326337

CC(C)CC(c1ccccc1)N(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MAPK1 P28482 3/20 0.36
RECQL P46063 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
CASR P41180 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL24326338 0.85 NR1H2 (0.39) KMT2AMEN1ALDH1A1CHRM2CHRM4
SCHEMBL10866253 0.71 MEN1 (0.47) L3MBTL1KMT2AMEN1ALDH1A1AAK1
SCHEMBL25295175 0.70 TP53 (0.40) L3MBTL1MAPTPOLBALDH1A1
SCHEMBL25255966 0.70 TP53 (0.40) L3MBTL1MAPTPOLBALDH1A1
SCHEMBL17384539 0.69 CASR (0.40) L3MBTL1KMT2ACASRMEN1CTSS
SCHEMBL5255513 0.69 CASR (0.43) L3MBTL1MAPTKMT2ACASRALDH1A1
SCHEMBL127648 0.68 CHRNB2 (0.49) L3MBTL1KMT2ACASRMEN1ALDH1A1
SCHEMBL25254031 0.68 ALOX5 (0.42) KMT2ACASRMEN1CHRM2CHRM4
SCHEMBL25296546 0.68 ALOX5 (0.42) KMT2ACASRMEN1CHRM2CHRM4
SCHEMBL5185704 0.68 KMT2A (0.43) L3MBTL1MAPTKMT2ACASRMEN1

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 REN 2074/4885L3MBTL1 3940/4885MAPT 4857/4885

“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.