Sugi Predict

Sugi Predict / Compounds / SCHEMBL30712600

SCHEMBL30712600

SCHEMBL30712600

[2H]C1([2H])OC(=O)N[C@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ MGLL Q99685 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAOB P27338 4/20 0.33
▸ LIG1 P18858 1/20 0.33
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL30712573 1.00 TDP1 (0.42) TDP1MGLLCYP19A1MAPTGSK3B
SCHEMBL1441058 0.82 TDP1 (0.44) TDP1MGLLCYP19A1GSK3BBACE1
SCHEMBL1366583 0.82 TDP1 (0.44) TDP1MGLLCYP19A1GSK3BBACE1
SCHEMBL28983076 0.82 TDP1 (0.44) TDP1MGLLCYP19A1GSK3BBACE1
SCHEMBL30712604 0.82 CA2 (0.38) CYP19A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL30712598 0.82 CA2 (0.38) CYP19A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL12572359 0.70 GSK3B (0.50) TDP1GSK3BBACE1KMT2ASMN1; SMN2
SCHEMBL21536565 0.70 GSK3B (0.50) TDP1GSK3BBACE1KMT2ASMN1; SMN2
SCHEMBL23878342 0.66 TDP1 (0.46) TDP1GSK3BBACE1KMT2ALMNA
SCHEMBL22039449 0.66 TDP1 (0.46) TDP1GSK3BBACE1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 — — US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 — — EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 — — CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 — — CN disclosed
WO-2024008166-A1 α,β-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2024-01-11 — — 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-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA TDP1 2811/4885MGLL 431/4885CYP19A1 317/4885

“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.