SCHEMBL27029254

SCHEMBL27029254

CC(C)(C)OC(=O)NC1(C)COCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ LMNA P02545 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
SCHEMBL27029361 0.78 — —
SCHEMBL21452591 0.72 GRIN1 (0.43) GHSRLMNA
SCHEMBL9068120 0.71 GAA (0.35) GAANFKB1NFKB2RELAHCRTR2
SCHEMBL28780547 0.70 EPHX2 (0.39) KDM4EMAPTUSP2SMN1; SMN2ALDH1A1
SCHEMBL27029323 0.70 ASGR1 (0.33) GAAUSP2SMN1; SMN2
SCHEMBL20887942 0.69 CRBN (0.36) GAANFKB1NFKB2RELAKMT2A
SCHEMBL29399414 0.69 KMT2A (0.42) GAAHCRTR2KDM4EMAPTKMT2A
SCHEMBL13998913 0.68 RORC (0.40) GAANFKB1NFKB2RELAHCRTR2
SCHEMBL3865599 0.68 SMN1; SMN2 (0.35) KMT2AMEN1SMN1; SMN2
SCHEMBL3206281 0.67 GAA (0.39) GAANFKB1NFKB2RELAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4574214-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-06-25 — — EP disclosed
EP-4308573-B1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHROEDINGER INC (US) 2025-05-07 — — EP disclosed
US-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-06-20 — — US disclosed
EP-4308573-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2024-01-24 — — EP disclosed
CN-117120447-A Cyclic compounds and methods of use thereof 薛定谔公司 2023-11-24 — — CN disclosed
WO-2022197898-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2022-09-22 — — 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-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 GAA 1525/4885NFKB1 1285/4885NFKB2 1329/4885

“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.

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