SCHEMBL4411396

SCHEMBL4411396

CCC(N)(CC)CC.COS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3967860 0.87 CA2 (0.35) CA2CA1USP2TSHR
SCHEMBL27418084 0.85 CA1 (0.33) CA2CA1TSHR
Sulfuric Acid SCHEMBL17102581 0.83 CA5A (0.40) CA2CA1TSHR
Tromethamine SCHEMBL28672604 0.82 MEN1 (0.50) CA2CA1USP2TSHR
SCHEMBL13729493 0.81 ALDH1A1 (0.33) CA2CA1TSHR
SCHEMBL28154935 0.81 TSHR (0.44) CA2CA1USP2TSHR
SCHEMBL4886485 0.80 CA2 (0.35) CA2CA1TSHR
Ethylamine SCHEMBL3467386 0.80
SCHEMBL17456428 0.80 CA1 (0.44) CA2CA1
Propane SCHEMBL2200005 0.80

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
CN-111574685-B Cold-resistant polyurethane cushion plate for heavy haul railway and preparation method thereof 上海华峰新材料研发科技有限公司 2022-03-11 CN disclosed
CN-111704709-B Low-modulus solvent-free polyurethane resin for synthetic leather and preparation method thereof 上海华峰新材料研发科技有限公司 2022-01-28 CN disclosed
CN-112266745-A Environment-friendly floor glue for bonding PVC (polyvinyl chloride) floor and preparation method thereof 同济大学 2021-01-26 CN disclosed
CN-111704709-A Low-modulus solvent-free polyurethane resin for synthetic leather and preparation method thereof 上海华峰新材料研发科技有限公司 2020-09-25 CN disclosed
CN-111574685-A Cold-resistant polyurethane cushion plate for heavy haul railway and preparation method thereof 上海华峰新材料研发科技有限公司 2020-08-25 CN disclosed
CN-111205566-A High-performance UV (ultraviolet) metal printing rubber roller 上海麦超橡胶制品有限公司 2020-05-29 CN disclosed
CN-106893062-B High-elasticity self-healing type plugging agent and preparation method thereof 盛隆建材有限公司 2020-04-24 CN disclosed
US-9934911-B2 Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
EP-2983233-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE Industries, Ltd. (JP) 2016-02-10 EP disclosed
US-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed
US-7863486-B2 Electrochemical preparation of sterically hindered amines BASF SE (DE) 2011-01-04 US disclosed
US-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES BASF SE (DE) 2009-10-08 US disclosed
US-5185025-A SUBSTITUTED PYRAZOLES AND THEIR USE AS HERBICIDES MONSANTO COMPANY (US) 1993-02-09 US disclosed
US-5078838-A By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol BASF AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-5045106-A 3-phenoxypyrazole MONSANTO COMPANY (US) 1991-09-03 US disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0371947-A1 Substituted pyrazoles and their use as herbicides Monsanto Company (US) 1990-06-06 EP disclosed
EP-0370990-A1 Herbicidal substituted pyrazoles MONSANTO COMPANY (US) 1990-05-30 EP disclosed
US-4855442-A Substituted 3-hydroxy pyrazoles MONSANTO COMPANY (US) 1989-08-08 US disclosed
EP-0295233-A2 Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides Monsanto Company (US) 1988-12-14 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 (1 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-20090253937-A1 ELECTROCHEMICAL PRODUCTION OF STERICALLY HINDERED AMINES AOC2, CYCS, SCO2 CA2 827/4885CA1 511/4885USP2 3711/4885

“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.