SCHEMBL23608642

SCHEMBL23608642

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL28850072 1.00 DDB1 (0.33) DDB1CRBNELANEKDM1ATACR1
SCHEMBL23580150 0.88 KDM1A (0.34) DDB1CRBNELANEKDM1A
SCHEMBL23608553 0.88 KDM1A (0.34) DDB1CRBNELANEKDM1A
SCHEMBL23580649 0.82 — —
SCHEMBL29629507 0.75 KDM1A (0.36) DDB1CRBNELANEKDM1A
SCHEMBL23608351 0.75 KDM1A (0.36) DDB1CRBNELANEKDM1A
SCHEMBL27020017 0.73 DDB1 (0.35) DDB1CRBNKDM1A
SCHEMBL23608341 0.73 RECQL (0.34) —
SCHEMBL31133629 0.71 NR1H2 (0.33) DDB1CRBNKDM1ARORCNR1H2
SCHEMBL23580614 0.71 KDM1A (0.31) DDB1CRBNKDM1A

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 DDB1 1251/4885CRBN 473/4885ELANE 864/4885

“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.

Send feedback