Sugi Predict

Sugi Predict / Compounds / SCHEMBL590405

SCHEMBL590405

SCHEMBL590405

CC(C)(C)OC(=O)NC[C@@H]1CO1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL2750096 1.00 HCRTR2 (0.47) HCRTR2GAATDP1EPHX1MEN1
SCHEMBL590406 1.00 HCRTR2 (0.47) HCRTR2GAATDP1EPHX1MEN1
SCHEMBL15490185 0.87 HCRTR2 (0.44) HCRTR2GAATDP1EPHX1
SCHEMBL28662054 0.86 HCRTR2 (0.45) HCRTR2TDP1EPHX1MEN1KMT2A
SCHEMBL28662052 0.86 HCRTR2 (0.45) HCRTR2TDP1EPHX1MEN1KMT2A
SCHEMBL28458597 0.84 HCRTR2 (0.41) HCRTR2GAATDP1EPHX1MEN1
SCHEMBL21607282 0.84 HCRTR2 (0.41) HCRTR2GAATDP1EPHX1MEN1
SCHEMBL590365 0.82 TDP1 (0.49) HCRTR2GAATDP1EPHX1MEN1
SCHEMBL4911658 0.82 SMN1; SMN2 (0.54) MEN1KMT2AHTTTSHR
SCHEMBL4911660 0.82 SMN1; SMN2 (0.54) MEN1KMT2AHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024200838-A1 NEW ODILORHABDINS ANALOGUES AS ANTIBIOTICS AGAINST MULTI-RESISTANT BACTERIA NOSOPHARM (FR) 2024-10-03 — — WO disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 — — EP disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 — — US disclosed
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 — — WO disclosed
CN-113105344-B Preparation method of high-purity aminosugar medicine impurity 上海天伟生物制药有限公司 2022-11-29 — — CN disclosed
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 — — EP disclosed
CN-113105344-A Preparation method of high-purity aminosugar medicine impurity 上海天伟生物制药有限公司 2021-07-13 — — CN disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 — — EP disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 — — WO disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — US disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 — — WO disclosed
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 — — EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 — — US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 — — US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 — — US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 — — EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 — — EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 — — US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 — — 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 (7 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM HCRTR2 4125/4885GAA 1109/4885TDP1 3270/4885
US-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ HCRTR2 525/4885GAA 834/4885TDP1 4830/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS HCRTR2 473/4885GAA 813/4885TDP1 4870/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV HCRTR2 3330/4885GAA 1039/4885TDP1 2406/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK HCRTR2 649/4885GAA 1175/4885TDP1 4687/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV HCRTR2 3330/4885GAA 1039/4885TDP1 2406/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD HCRTR2 4717/4885GAA 159/4885TDP1 775/4885

“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.