SCHEMBL80439

SCHEMBL80439

C#CC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSL P07711 1/20 0.33
MAPK1 P28482 1/20 0.33
HCRTR2 O43614 1/20 0.31
BTK Q06187 1/20 0.31
POLB P06746 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL16569355 0.86 GAA (0.38) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL14904840 0.80 CTSL (0.43) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL12709302 0.78 GAA (0.34) GAAMEN1KMT2AMAPK1HCRTR2
SCHEMBL25320175 0.78 GAA (0.35) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL21184066 0.78 MEN1 (0.51) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL31049041 0.78 MEN1 (0.47) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL5554379 0.77 MEN1 (0.37) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL17627172 0.76 MEN1 (0.54) GAAMEN1KMT2ACTSLMAPK1
SCHEMBL21398708 0.75 CTSL (0.36) MEN1KMT2ACTSLMAPK1BTK
SCHEMBL2947606 0.75 GAA (0.34) GAAMEN1KMT2AMAPK1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570617-B2 Use of triazole compound as ghrelin receptor agonist KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-03-10 US disclosed
US-12398109-B2 2-amino-2-(1,2,3-triazole-4-yl)propane-1,3-diol derivative of novel compound for directly inhibiting ASM activity, and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2025-08-26 US disclosed
CN-120081796-A Use of triazole compounds as gastric somatostatin receptor agonists 庆北大学校产学协力团 2025-06-03 CN disclosed
CN-116669575-B Use of triazole compounds as gastric somatostatin receptor agonists 庆北大学校产学协力团 2025-04-04 CN disclosed
EP-3789380-B1 2-AMINO-2-(1,2,3-TRIAZOLE-4-YL)PROPANE-1,3-DIOL DERIVATIVE OF NOVEL COMPOUND FOR DIRECTLY INHIBITING ASM ACTIVITY, AND USE THEREOF KYUNGPOOK NAT UNIV IND ACADEMIC COOP FOUND (KR) 2024-12-04 EP disclosed
CN-118234492-A Pharmaceutical composition for preventing or treating alopecia areata with function of functional inhibitor for S1PR1 and S1PR4 次代生物科学株式会社 2024-06-21 CN disclosed
US-20240148698-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-05-09 US disclosed
CN-112351974-B Novel compound 2-amino-2- (1, 2, 3-triazole-4-yl) -1, 3-propanediol derivative capable of directly inhibiting ASM activity and application thereof 庆北大学校产学协力团 2024-01-26 CN disclosed
CN-117396199-A Pharmaceutical composition for preventing or treating inflammatory bowel disease as a functional antagonist of S1PR1 and S1PR4 次代生物科学株式会社 2024-01-12 CN disclosed
WO-2023224362-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF RADIATION-INDUCED PULMONARY FIBROSIS, ACTING AS FUNCTIONAL ANTAGONIST OF S1PR1 AND S1PR4 주식회사 넥스트젠바이오사이언스 2023-11-23 WO disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
WO-2010065760-A1 IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION EXELIXIS, INC. (US) 2010-06-10 WO disclosed
CN-101730677-A Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-06-09 CN disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 GAA 3585/4885MEN1 2056/4885KMT2A 1823/4885
US-20240148698-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ALOPECIA AREATA ACTING AS A FUNCTIONAL ANTAGONIST FOR S1PR1 AND S1PR4 S1PR5, S1PR4, S1PR1 GAA 3652/4885MEN1 2458/4885KMT2A 2102/4885
US-12570617-B2 Use of triazole compound as ghrelin receptor agonist GIPR, GLP1R, GCGR GAA 3251/4885MEN1 4557/4885KMT2A 3894/4885
US-12398109-B2 2-amino-2-(1,2,3-triazole-4-yl)propane-1,3-diol derivative of novel compound for directly inhibiting ASM activity, and use thereof CHRNB2, ACHE, SMPD2 GAA 409/4885MEN1 3762/4885KMT2A 2205/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C GAA 1918/4885MEN1 1026/4885KMT2A 525/4885
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 GAA 4315/4885MEN1 525/4885KMT2A 3600/4885

“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.