SCHEMBL30531024

SCHEMBL30531024

CC(C)(C)OC(=O)NCc1cccc(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.48
GLS O94925 4/20 0.47
TRPA1 O75762 1/20 0.46
NAMPT P43490 2/20 0.45
KDM4A O75164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC1 Q13547 1/20 0.41
IGF1R P08069 1/20 0.41
NAAA Q02083 1/20 0.41
CYP3A4 P08684 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
SCHEMBL3509882 1.00 BRD4 (0.48) BRD4CREBBPGLSTRPA1NAMPT
SCHEMBL25358558 0.95 GLS (0.48) BRD4CREBBPGLSTRPA1NAMPT
SCHEMBL30531063 0.95 GLS (0.48) BRD4CREBBPGLSTRPA1NAMPT
SCHEMBL25048390 0.95 BRD4 (0.47) BRD4CREBBPGLSTRPA1NAMPT
SCHEMBL301842 0.92 BRD4 (0.47) BRD4CREBBPGLSNAMPTKDM4A
Hydrochloric Acid SCHEMBL2034724 0.91 BRD4 (0.46) BRD4CREBBPGLSNAMPTL3MBTL1
Acetic Acid SCHEMBL973925 0.89 BRD4 (0.45) BRD4CREBBPGLSNAMPTL3MBTL1
SCHEMBL13830591 0.89 QDPR (0.45) BRD4CREBBPGLSNAMPTROCK2
SCHEMBL28801811 0.89 BRD4 (0.47) BRD4CREBBPGLSNAMPTL3MBTL1
SCHEMBL25046762 0.88 BRD4 (0.46) BRD4CREBBPGLSTRPA1NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 US disclosed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 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-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BRD4 2200/4885CREBBP 574/4885GLS 628/4885

“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.