SCHEMBL26640409

SCHEMBL26640409

CC(CC(=O)OC(C)(C)C)C(C)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL28149674 0.77 CYP2D6 (0.43) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16689237 0.77 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16689177 0.77 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31548529 0.77 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15834913 0.77 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19034795 0.75 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26765471 0.73 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL26767636 0.73 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10431349 0.72 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8370816 0.72 CPA1 (0.35) CA2MAPT

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
EP-4522591-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2025-03-19 EP disclosed
CN-119212978-A Oxoindolinyl amide derivatives for inhibiting NLRP3 and use thereof 万特斯治疗美国公司 2024-12-27 CN disclosed
US-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2024-11-07 US disclosed
WO-2023220715-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-11-16 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-20240368131-A1 OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NLRP3, NLRP1, NOD1 CYP2D6 1202/4885HDAC3 801/4885HDAC1 670/4885

“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.