SCHEMBL24323788

SCHEMBL24323788

CN(CC(O)COCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
PPARA Q07869 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CTSS P25774 1/20 0.46
CASR P41180 1/20 0.44
PPARG P37231 1/20 0.44
MAPK1 P28482 1/20 0.43
HTR2C P28335 2/20 0.43
SLC6A4 P31645 2/20 0.43
RAB9A P51151 1/20 0.42
CA4 P22748 1/20 0.41

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
SCHEMBL7053417 1.00 CA1 (0.50) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL22785775 0.86 HDAC3 (0.53) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL16633128 0.84 CA1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL16633129 0.84 CA1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL1529700 0.84 ATM (0.43) L3MBTL1CTSSHTR2CSLC6A4
SCHEMBL30819017 0.82 L3MBTL1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL31127362 0.82 NPSR1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL30819037 0.82 L3MBTL1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL30819090 0.82 NPSR1 (0.47) CA1NPSR1L3MBTL1PPARACA2
SCHEMBL26985920 0.81 CA1 (0.55) CA1NPSR1L3MBTL1PPARACA2

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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CA1 4870/4885NPSR1 4091/4885L3MBTL1 4050/4885

“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.