SCHEMBL977470

SCHEMBL977470

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ELANE P08246 1/20 0.31
CYP2D6 P10635 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
SCHEMBL27919760 1.00 SLC7A5 (0.38) SLC7A5NOS1NOS3NOS2CA1
SCHEMBL2367362 0.87 NOS1 (0.33) SLC7A5NOS1NOS3NOS2CA1
SCHEMBL10662683 0.86 NOS1 (0.35) NOS1NOS3NOS2CA12CA14
SCHEMBL10659347 0.86 NOS1 (0.35) NOS1NOS3NOS2CA12CA14
SCHEMBL6950879 0.83 CYP3A4 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL1926084 0.83 CYP3A4 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL6954465 0.83 CYP3A4 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL7367529 0.83 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL919727 0.83 NOS1 (0.46) SLC7A5NOS1NOS3NOS2CA1
SCHEMBL311871 0.83 NOS1 (0.46) SLC7A5NOS1NOS3NOS2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514679-A Palladium-catalyzed sp with low-cost and high-efficiency quaternary ammonium nitrate as oxidant 2 And sp (sp) 3 Carbon hydrogen bond alkenylation method 南京工业大学 2023-08-01 CN claimed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-02-12 US disclosed
CN-116874515-B Amino acid-BSH targeted hybrid compound, and preparation method and application thereof 重庆高硼生物科技有限公司 2025-03-14 CN disclosed
US-20240383942-A1 WATER-SOLUBLE ALLOPREGNANOLONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING MINOVA PHARMACEUTICAL CO., LTD. (CN) 2024-11-21 US disclosed
CN-116270255-B High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2024-10-18 CN disclosed
CN-116270255-B High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2024-10-18 CN disclosed
CN-116270255-A High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2023-06-23 CN disclosed
CN-116270255-A High-adhesion composite sodium hyaluronate repair patch and preparation method thereof 哈尔滨运美达生物科技有限公司 2023-06-23 CN disclosed
WO-2023040851-A1 WATER-SOLUBLE ALLOPREGNANOLONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京迈诺威医药科技有限公司 2023-03-23 WO disclosed
WO-2009120999-A2 USE OF AN ENDOXIFEN PRODRUG FOR TREATMENT OF BREAST CANCER OLEMA PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
WO-2008066729-A2 BORONIC ACID CONTAINING COMPOSITIONS DARA BIOSCIENCES, INC. (US) 2008-06-05 WO disclosed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
WO-1990005141-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUKOCYTIC ELASTASE AND COLLAGENASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1990-05-17 WO disclosed
EP-0204775-A4 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE. UNIV TROBE (AU) 1989-10-04 EP disclosed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP disclosed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 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 (2 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-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE GFRA3, IL6ST, GFRA1 SLC7A5 877/4885NOS1 2695/4885NOS3 1613/4885
US-20240383942-A1 WATER-SOLUBLE ALLOPREGNANOLONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF HSD11B2, HSD11B1, CYP11B2 SLC7A5 2630/4885NOS1 2479/4885NOS3 3307/4885

“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.