Sugi Predict

Sugi Predict / Compounds / SCHEMBL1045289

SCHEMBL1045289

SCHEMBL1045289

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.50
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ GAA P10253 2/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ ANPEP P15144 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL30191451 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL555256 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL1693182 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL3343104 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL3344958 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL555255 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL765453 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL16125648 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL21032211 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL23463705 0.98 BTK (0.49) BTKCA1CA2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552095-B Cyclohexanediamine gel factor, hydrocarbon fuel gel and preparation method and application thereof 国家纳米科学中心 2025-05-16 — — CN claimed
CN-119552095-A Cyclohexanediamine gel factor, hydrocarbon fuel gel and preparation method and application thereof 国家纳米科学中心 2025-03-04 — — CN claimed
CN-118290360-A Synthetic method of organic light response probe HBT-CN based on ESIPT effect, obtained probe and application thereof 临沂大学 2024-07-05 — — CN claimed
CN-113999142-B Preparation method of chiral N-Boc-trans-1, 2-cyclohexanediamine 蚌埠中实化学技术有限公司 2023-01-24 — — CN claimed
CN-113999142-A Preparation method of chiral N-Boc-trans-1, 2-cyclohexanediamine 蚌埠中实化学技术有限公司 2022-02-01 — — CN claimed
EP-4574153-A2 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS University of Miami (US) 2025-06-25 — — EP disclosed
CN-119552095-B Cyclohexanediamine gel factor, hydrocarbon fuel gel and preparation method and application thereof 国家纳米科学中心 2025-05-16 — — CN disclosed
US-20250145586-A1 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS UNIVERSITY OF MIAMI 2025-05-08 — — US disclosed
CN-119552095-A Cyclohexanediamine gel factor, hydrocarbon fuel gel and preparation method and application thereof 国家纳米科学中心 2025-03-04 — — CN disclosed
EP-3704103-B1 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS UNIV MIAMI (US) 2025-01-01 — — EP disclosed
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2024-11-21 — — US disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 — — US disclosed
EP-0844886-A2 BIOCONJUGATES OF MANGANESE COMPLEXES AND THEIR APPLICATION AS CATALYSTS MONSANTO COMPANY (US) 1998-06-03 — — EP disclosed
WO-1997033588-A9 IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE — 1997-11-06 — — WO disclosed
WO-1997033588-A1 IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997033877-A1 BIOCONJUGATES OF MANGANESE OR IRON COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997006830-A1 METHODS OF DIAGNOSTIC IMAGE ANALYSIS USING BIOCONJUGATES OF METAL COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS MONSANTO COMPANY (US) 1997-02-27 — — WO disclosed
US-5334729-A Derivatives of 1,2-diaminocyclohexanetetraacetic acid ASSOCIATED UNIVERSITIES, INC. (US) 1994-08-02 — — US disclosed
US-5089663-A Chelating agents for labeling antibodies, antitumor agents ASSOCIATED UNIVERSITIES, INC. (US) 1992-02-18 — — US disclosed
US-5021571-A Rigid compound used in chelating stable radiometal labeled antibodies ASSOCIATED UNIVERSITIES, INC. (US) 1991-06-04 — — US 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 (3 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-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN BTK 2/4885CA1 4319/4885CA2 3199/4885
US-20240383914-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE ABL1, BTK, MYLK2 BTK 2/4885CA1 4239/4885CA2 3053/4885
US-20250145586-A1 KINASE INHIBITORS FOR THE TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS MAP3K20, MAP4K2, MAP4K1 BTK 739/4885CA1 4132/4885CA2 2951/4885

“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.