SCHEMBL1132537

SCHEMBL1132537

CC(C)CC(Cl)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MME P08473 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6466477 0.78 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10342959 0.78 TDP1 (0.37) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1262446 0.78 SLC22A6 (0.50) CACNA2D1CACNB3CACNA1CSLC22A6TDP1
3-Methylbutanoic Acid SCHEMBL28306793 0.76 TDP1 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6734706 0.75 SLC22A6 (0.47) CACNA2D1CACNB3CACNA1CSLC22A6TDP1
SCHEMBL6465236 0.75 BLM (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6460876 0.75 BLM (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6460666 0.74
SCHEMBL968570 0.74 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL4412290 0.74 CACNA2D1 (0.74) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-11497212-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-11-15 US disclosed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US disclosed
EP-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US disclosed
CN-112218860-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2021-01-12 CN disclosed
CN-112154147-A Substituted phenylthiouracils, their salts and their use as herbicides 先正达农作物保护股份公司 2020-12-29 CN disclosed
EP-3728235-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS Syngenta Crop Protection AG (CH) 2020-10-28 EP disclosed
EP-3728237-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS Syngenta Crop Protection AG (CH) 2020-10-28 EP disclosed
US-20200315174-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2020-10-08 US disclosed
CN-101084186-B Isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK 2011-05-11 CN disclosed
EP-1812381-B1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KK (JP) 2011-02-16 EP disclosed
US-7579066-B2 Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use SHOWA DENKO K.K. (JP) 2009-08-25 US disclosed
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use RESONAC CORPORATION (JP) 2008-06-05 US disclosed
CN-101084186-A Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use SHOWA DENKO KK (JP) 2007-12-05 CN disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 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 (7 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-11497212-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS CACNA2D1 4073/4885CACNB3 4590/4885CACNA1C 4126/4885
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 CACNA2D1 2918/4885CACNB3 1846/4885CACNA1C 1607/4885
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS CACNA2D1 4103/4885CACNB3 4616/4885CACNA1C 4180/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS CACNA2D1 4103/4885CACNB3 4616/4885CACNA1C 4180/4885
US-20200315174-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS CACNA2D1 4073/4885CACNB3 4590/4885CACNA1C 4126/4885
US-20080132597-A1 Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use ACAD9, ELOVL6, ELOVL5 CACNA2D1 4845/4885CACNB3 4788/4885CACNA1C 4629/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS CACNA2D1 4073/4885CACNB3 4590/4885CACNA1C 4126/4885

“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.