Sugi Predict

Sugi Predict / Compounds / SCHEMBL601562

SCHEMBL601562

SCHEMBL601562

CC(C)(C)OC(=O)N=C(N)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CA12 O43570 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CTSK P43235 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL601561 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL3728300 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL3808762 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL3808765 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL18421858 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL4715528 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL14765111 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL15324528 0.83 APLNR (0.40) MAOAMAOBCA12CA14CTSK
SCHEMBL6379683 0.80 DGAT1 (0.34) MAOAMAOBCTSKTDP1DGAT1
SCHEMBL3144118 0.80 TDP1 (0.35) CA12CA14NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 — — US disclosed
US-20250049727-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2025-02-13 — — US disclosed
EP-4505875-A1 METHOD FOR CONTROLLING PARASITIC PLANTS AJINOMOTO CO., INC. (JP) 2025-02-12 — — EP disclosed
US-20250031699-A1 Method for Controlling Parasitic Plants AJINOMOTO CO., INC. (JP) 2025-01-30 — — US disclosed
EP-4494698-A2 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-01-22 — — EP disclosed
EP-3661922-B1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-10-23 — — EP disclosed
CN-118829423-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2024-10-22 — — CN disclosed
EP-4429644-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ModernaTX, Inc. (US) 2024-09-18 — — EP disclosed
WO-2023086465-A9 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2024-08-22 — — WO disclosed
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-20 — — US disclosed
US-6072075-A Guanidinylation reagents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-06-06 — — US disclosed
EP-0983232-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-08 — — EP disclosed
WO-1998052917-A2 GUANIDINYLATION REAGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-26 — — WO disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 — — US disclosed
US-5763597-A Orally active adenosine kinase inhibitors METABASIS THERAPEUTICS, INC. (US) 1998-06-09 — — US disclosed
EP-0832092-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 — — EP disclosed
US-5719296-A THERAPY, PREVENTION OF AUTOIMMUNE DISEASES; PREVENTS PEPTIDE BINDING TO MAJOR HISTOCOMPATBILITY COMPLEX PROTEINS MERCK & CO., INC. (US) 1998-02-17 — — US disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 — — EP disclosed
WO-1997016425-A1 NOVEL INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS MERCK & CO., INC. (US) 1997-05-09 — — WO disclosed
WO-1996040706-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA-SICOR (US) 1996-12-19 — — 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 (4 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 MAOA 2104/4885MAOB 1318/4885CA12 4019/4885
US-20250049727-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM CFTR, TSLP, MTREX MAOA 4782/4885MAOB 4772/4885CA12 1989/4885
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 MAOA 1185/4885MAOB 1053/4885CA12 3756/4885
US-20250031699-A1 Method for Controlling Parasitic Plants PTMS, DAO, GNMT MAOA 1052/4885MAOB 1414/4885CA12 4193/4885

“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.