SCHEMBL23608548

SCHEMBL23608548

CN(C)/C=C1\C(=O)C(C)(C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ BUB1 O43683 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
SCHEMBL23580614 1.00 KDM1A (0.31) KDM1ADDB1CRBNBUB1
SCHEMBL23580616 1.00 KDM1A (0.31) KDM1ADDB1CRBNBUB1
SCHEMBL31498912 0.84 NR1H2 (0.34) KDM1ADDB1CRBNBUB1
SCHEMBL23609353 0.84 NR1H2 (0.34) KDM1ADDB1CRBNBUB1
SCHEMBL23608878 0.83 — —
SCHEMBL27020398 0.81 KDM1A (0.30) KDM1ADDB1CRBNBUB1
SCHEMBL23608616 0.81 KDM1A (0.31) KDM1A
SCHEMBL23608707 0.81 DDB1 (0.33) KDM1ADDB1CRBN
SCHEMBL27020571 0.78 DDB1 (0.31) DDB1CRBN
SCHEMBL23608365 0.77 KDM1A (0.39) KDM1ADDB1CRBNBUB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 — — CN disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A KDM1A 1462/4885DDB1 1251/4885CRBN 473/4885

“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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