Sugi Predict

Sugi Predict / Compounds / SCHEMBL4394729

SCHEMBL4394729

SCHEMBL4394729

CC(C)(C)OC(=O)NCCCN=C=S

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 10/20 0.55
▸ NFE2L2 Q16236 10/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.42
▸ STK17B O94768 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL383580 0.95 KEAP1 (0.58) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL5568963 0.94 TDP1 (0.59) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL382722 0.90 TDP1 (0.49) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL11250194 0.85 TDP1 (0.56) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL4565127 0.84 TDP1 (0.44) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL20438644 0.83 TDP1 (0.43) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL3792515 0.82 TDP1 (0.42) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL3788638 0.82 TDP1 (0.42) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL2892710 0.81 TDP1 (0.58) KEAP1NFE2L2TDP1MEN1GAA
SCHEMBL2951618 0.80 TDP1 (0.61) TDP1MEN1GAAKMT2ACA12

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572795-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS The University of Chicago (US) 2025-06-25 — — EP disclosed
US-20250122502-A1 Bifunctional Molecules and Methods of Using Thereof FLAGSHIP PIONEERING, INC. (US) 2025-04-17 — — US disclosed
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 — — US disclosed
US-20240400684-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-12-05 — — US disclosed
WO-2024040169-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS THE UNIVERSITY OF CHICAGO (US) 2024-02-22 — — WO disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 — — WO disclosed
US-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-10-19 — — US disclosed
US-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 — — US disclosed
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-05-25 — — US disclosed
WO-2023049816-A9 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-04-27 — — WO disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 — — WO disclosed
EP-1417188-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES Novo Nordisk A/S (DK) 2004-05-12 — — EP disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 — — US disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 — — US disclosed
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 — — US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 — — US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 — — WO disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 — — EP disclosed
WO-2003011843-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES NOVO NORDISK A/S (DK) 2003-02-13 — — WO disclosed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 — — EP 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 (6 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 KEAP1 544/4885NFE2L2 223/4885TDP1 4800/4885
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, SNRPE, DDX21 KEAP1 4047/4885NFE2L2 4163/4885TDP1 692/4885
US-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 KEAP1 1395/4885NFE2L2 644/4885TDP1 3074/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 KEAP1 1765/4885NFE2L2 4164/4885TDP1 4498/4885
US-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, DDX21, SNRPE KEAP1 3540/4885NFE2L2 3852/4885TDP1 804/4885
US-20250122502-A1 Bifunctional Molecules and Methods of Using Thereof EFTUD2, DDX21, SNRPE KEAP1 3540/4885NFE2L2 3852/4885TDP1 804/4885

“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.