SCHEMBL457052

SCHEMBL457052

C=CC(=O)NC(C)(CC(C)(C)C)CS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7625494 0.90 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL18333661 0.86 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL363117 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL5885009 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9751967 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Ammonia Solution, Strong SCHEMBL9221695 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8680258 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4613505 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL7218071 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL29253274 0.83 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066661-A1 INVERTING PACKAGES, EMULSIONS, AND METHODS STERLING SPECIALTY CHEMICALS HOLDING UK LIMITED (GB) 2025-02-27 US claimed
CN-117585963-A Shrinkage-reducing anti-cracking type large-volume concrete and preparation method thereof 中建商品混凝土有限公司 2024-02-23 CN claimed
US-11753580-B2 Inverse emulsion compositions KEMIRA OYJ (FI) 2023-09-12 US claimed
US-11638950-B2 Articles prepared using curable compositions based on polymerizable ionic species ARKEMA FRANCE (FR) 2023-05-02 US claimed
EP-3387025-B1 INVERSE EMULSION COMPOSITIONS KEMIRA OYJ (FI) 2023-04-26 EP claimed
US-11597002-B2 2023-03-07 US claimed
CN-112423910-B Articles prepared using curable compositions based on polymerizable ionic species 阿科玛法国公司 2022-09-13 CN claimed
EP-3823772-B1 ARTICLES PREPARED USING CURABLE COMPOSITIONS BASED ON POLYMERIZABLE IONIC SPECIES ARKEMA FRANCE (FR) 2022-08-03 EP claimed
CN-108947375-B Hardening accelerator composition comprising a plasticizer 建筑研究和技术有限公司 2022-02-22 CN claimed
CN-106749777-B Water soluble hydrophobically associating copolymers 巴斯夫欧洲公司 2021-10-26 CN claimed
US-6955803-B2 Photoprotective compositions comprising sulfonic/hydrophobic amphiphilic polymers L'OREAL (FR) 2005-10-18 US claimed
US-20050086745-A1 Oxidation dyeing composition for keratinous fibres on amphiphilic polymers of at least an ethylenically unsaturated monomer with sulphonic group and comprising a hydrophobic part L'OREAL (FR) 2005-04-28 US claimed
CN-1492753-A Oxidizing composition for treating keratin materials, based on at least one ethylenically unsaturated monomer containing sulphonic groups and an amphiphilic polymer comprising hydrophobic portions �ź㴫 2004-04-28 CN claimed
US-20040074015-A1 Oxidising composition for treating keratinous materials based on amphiphilic polymers of at least an ethylenically unsaturated monomer containing a sulfonic group and comprising a hydrophobic part L'OREAL (FR) 2004-04-22 US claimed
US-20040071641-A1 Photoprotective/cosmetic compositions comprising sulfonic/hydrophobic amphiphilic polymers SOCIETE L'OREAL S.A. (FR) 2004-04-15 US claimed
US-20040062728-A1 Photoprotective compositions comprising sulfonic/hydrophobic amphiphilic polymers SOCIETE L'OREAL, S.A. (FR) 2004-04-01 US claimed
US-20030157047-A1 Cosmetic composition for removing make-up from and clening the skin L'OREAL (FR) 2003-08-21 US claimed
US-20030108577-A1 Cosmetic and/or dermatological acid composition containing an amphiphilic polymer L'OREAL (FR) 2003-06-12 US claimed
US-20030050201-A1 Cleansing composition containing an amphiphilic polymer L'OREAL (FR) 2003-03-13 US claimed
US-20030036490-A1 Stable composition with high electrolyte content containing an amphiphilic polymer L'OREAL (FR) 2003-02-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20030157047-A1 Cosmetic composition for removing make-up from and clening the skin CUTA, DEGS1, LAGE3 ALDH1A1 1947/4885CYP3A4 4736/4885CYP2C9 2887/4885
US-20050086745-A1 Oxidation dyeing composition for keratinous fibres on amphiphilic polymers of at least an ethylenically unsaturated monomer with sulphonic group and comprising a hydrophobic part KRT18, ELOVL5, DSG1 ALDH1A1 740/4885CYP3A4 1089/4885CYP2C9 501/4885
US-20040062728-A1 Photoprotective compositions comprising sulfonic/hydrophobic amphiphilic polymers CUTA, PCNA, DSG1 ALDH1A1 1614/4885CYP3A4 3640/4885CYP2C9 3018/4885
US-20040071641-A1 Photoprotective/cosmetic compositions comprising sulfonic/hydrophobic amphiphilic polymers CUTA, DSG1, PCNA ALDH1A1 2367/4885CYP3A4 4197/4885CYP2C9 3516/4885
US-20030108577-A1 Cosmetic and/or dermatological acid composition containing an amphiphilic polymer KRT18, DSG1, CUTA ALDH1A1 1813/4885CYP3A4 4791/4885CYP2C9 3975/4885
US-20030036490-A1 Stable composition with high electrolyte content containing an amphiphilic polymer KRT18, DSG1, SCNN1A ALDH1A1 3241/4885CYP3A4 4796/4885CYP2C9 4014/4885
US-20040074015-A1 Oxidising composition for treating keratinous materials based on amphiphilic polymers of at least an ethylenically unsaturated monomer containing a sulfonic group and comprising a hydrophobic part KRT18, DSG1, CUTA ALDH1A1 1273/4885CYP3A4 2145/4885CYP2C9 1276/4885
US-20030050201-A1 Cleansing composition containing an amphiphilic polymer UGCG, SGMS1, SGMS2 ALDH1A1 2273/4885CYP3A4 4012/4885CYP2C9 3469/4885

“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.