Sugi Predict

Sugi Predict / Compounds / SCHEMBL428028

SCHEMBL428028

SCHEMBL428028

CC(C)(C)OC(=O)N1CCCC1COS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.44
▸ HCRTR2 O43614 1/20 0.43
▸ APP P05067 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL426040 1.00 HSD17B10 (0.44) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL613074 1.00 HSD17B10 (0.44) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL7106146 0.96 PDE8B (0.43) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL1193279 0.96 PDE8B (0.43) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL489371 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL489369 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL1799021 0.91 NR1H2 (0.39) HSD17B10HCRTR2ATM
SCHEMBL12431650 0.89 HSD17B10 (0.42) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL3130359 0.89 ATM (0.45) HSD17B10HCRTR2APPHTR1AADRA2A
SCHEMBL16538591 0.89 ATM (0.45) HSD17B10HCRTR2APPHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051148-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技股份有限公司 2025-03-13 — — WO disclosed
CN-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 — — CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
CN-117624191-A Indazole carboxamide derivatives, preparation method and application thereof 熙源安健医药（上海）有限公司 2024-03-01 — — CN disclosed
CN-117466893-A Pyridocycloheptane derivative and preparation method and application thereof 熙源安健医药（上海）有限公司 2024-01-30 — — CN disclosed
CN-114096532-B Heterocyclic compounds which inhibit tyrosine kinase 2 activity 广州诺诚健华医药科技有限公司 2023-12-01 — — CN disclosed
CN-116829559-A Carbonyl substituted diazaspiro compounds and uses thereof 烨辉医药科技(上海)有限公司 2023-09-29 — — CN disclosed
CN-115124538-A Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-09-30 — — CN disclosed
CN-107635995-B Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-08-19 — — CN disclosed
CN-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 — — CN disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 — — WO disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 — — US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 — — EP disclosed
US-20040260100-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof ABBVIE INC. 2004-12-23 — — US disclosed
US-20040171845-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof ABBOTT LABORATORIES 2004-09-02 — — US disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO disclosed
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 — — EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 — — US disclosed
EP-1042320-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS AstraZeneca UK Limited (GB) 2000-10-11 — — EP disclosed
WO-1999026944-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENEKA UK LIMITED (GB) 1999-06-03 — — 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 (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-20040171845-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof QDPR, PNMT, MTAP HSD17B10 3285/4885HCRTR2 3390/4885APP 1861/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 HSD17B10 4197/4885HCRTR2 2431/4885APP 3773/4885
US-20040260100-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof QDPR, PNMT, MTAP HSD17B10 3285/4885HCRTR2 3390/4885APP 1861/4885

“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.