SCHEMBL2000449

SCHEMBL2000449

CN(C)CCN(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MVD P53602 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43
BHMT Q93088 1/20 0.43
CHRM2 P08172 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL14385366 0.97 CA12 (0.55) CA12CA2CA3CA4CA6
SCHEMBL7796153 0.97 CA12 (0.48) CA12CA2CA3CA4CA6
SCHEMBL918386 0.92 TDP1 (0.50) CA12CA2CA3CA4CA6
SCHEMBL27018147 0.91 TDP1 (0.58) CA12CA2CA3CA4CA6
SCHEMBL16576609 0.84 TDP1 (0.41) CA12CA2CA3CA4CA6
SCHEMBL14392744 0.83 TDP1 (0.64) CA12CA2CA3CA4CA6
SCHEMBL14823493 0.82 TDP1 (0.67) CA12CA2CA4CA9MVD
SCHEMBL27018199 0.82 MVD (0.43) MVDTDP1EYA2APPACE
SCHEMBL14390689 0.82 TDP1 (0.70) CA12CA2CA4CA9MVD
SCHEMBL11723098 0.81 LTA4H (0.49) MVDTDP1EYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065451-A CNS DEPRESSANTS AMERICAN HOME PRODUCTS (US) 1977-12-27 US claimed
US-20240209019-A1 COMPOUNDS AND METHODS FOR TREATING HYPERKALEMIA ARDELYX, INC. (US) 2024-06-27 US disclosed
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia ARDELYX, INC. (US) 2024-01-02 US disclosed
CN-115068347-A Photocurable composition having excellent depth of cure 株式会社松风 2022-09-20 CN disclosed
CN-115068345-A Dental adhesive composition having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068348-A Curable composition for dental use having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
CN-113402666-A Dental photocurable composition with excellent color tone selectivity 株式会社松风 2021-09-17 CN disclosed
CN-113402665-A Dental photocurable composition comprising highly soluble photoacid generator 株式会社松风 2021-09-17 CN disclosed
US-10428043-B2 Green oxidation catalytic system TRUSTEES OF BOSTON UNIVERSITY (US) 2019-10-01 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-0688314-B1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AG (DE) 2001-10-04 EP disclosed
EP-0870776-A2 Initiator system comprising an aminoalcoholate ligand for the anionic (co)polymerisation of (meth)acrylic monomers and process using it ELF ATOCHEM S.A. (FR) 1998-10-14 EP disclosed
US-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed
EP-0688314-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
WO-1994021604-A1 PRODRUG DERIVATIVES OF ENZYME INHIBITORS WITH HYDROXYL GROUPS, METHODS OF PREPARING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
US-4217238-A BASIC SALT, SCRUBBING EXXON RESEARCH & ENGINEERING CO. (US) 1980-08-12 US disclosed
US-4094957-A CARBON DIOXIDE EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 US disclosed
US-4065451-A CNS DEPRESSANTS AMERICAN HOME PRODUCTS (US) 1977-12-27 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 (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-20240209019-A1 COMPOUNDS AND METHODS FOR TREATING HYPERKALEMIA REN, NHERF1, KCNJ11 CA12 754/4885CA2 58/4885CA3 252/4885
US-10428043-B2 Green oxidation catalytic system TKT, OGDH, SOD1 CA12 290/4885CA2 278/4885CA3 96/4885
US-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF CA12 2295/4885CA2 163/4885CA3 645/4885
US-11858959-B2 Glycyrrhetinic acid derivatives for use in treating hyperkalemia HSD11B2, HSD11B1, NR3C2 CA12 469/4885CA2 126/4885CA3 199/4885

“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.