SCHEMBL4936612

SCHEMBL4936612

Cc1ccccc1S(=O)(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
ESR1 P03372 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR2 Q92731 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 7/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL14778954 0.88 MEN1 (0.44) MEN1ESR1KMT2AESR2GAA
SCHEMBL16044746 0.87 ALDH1A1 (0.40) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL29415231 0.87 ALDH1A1 (0.40) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL14779349 0.85 MEN1 (0.42) MEN1ESR1KMT2AESR2GAA
SCHEMBL9040122 0.85 MEN1 (0.42) MEN1ESR1KMT2AESR2GAA
SCHEMBL10360517 0.85 KMT2A (0.42) MEN1ESR1KMT2AESR2GAA
SCHEMBL14779307 0.83 KMT2A (0.41) MEN1ESR1KMT2AESR2GAA
SCHEMBL6916220 0.83 MEN1 (0.44) MEN1ESR1KMT2AESR2GAA
SCHEMBL10950989 0.82 ALDH1A1 (0.49) MEN1ESR1KMT2AESR2GAA
SCHEMBL7630224 0.82 KMT2A (0.43) MEN1ESR1KMT2AESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233823-A Synthesis method of 2-fluoro-1, 3-propane sultone 张家港市国泰华荣化工新材料有限公司 2020-06-05 CN claimed
CN-103249826-B Fragrance granules for detergents SYMRISE AG 2015-07-15 CN claimed
CN-103249826-A Fragrance granules for detergents SYMRISE AG 2013-08-14 CN claimed
EP-0110252-B1 HEAT-SENSITIVE REGISTRATION MATERIAL BASF Aktiengesellschaft (DE) 1985-11-13 EP claimed
US-4523208-A SULFONIC ACID ESTER AS ACTIVATOR BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 US claimed
US-4383126-A Preparation of monoalkyl ethers of hydroxyphenols BAYER AKTIENGESELLSCHAFT (DE) 1983-05-10 US claimed
CN-118688346-A Application of polymer modified silica gel adsorption material in analysis of sulfonate genotoxic impurities 山东大学 2024-09-24 CN disclosed
CN-111233823-B Synthesis method of 2-fluoro-1, 3-propane sultone 张家港市国泰华荣化工新材料有限公司 2022-05-17 CN disclosed
CN-109071960-B Silicon-containing heterocyclic matting agents, compounds and polymers 富士胶片和光纯药株式会社 2021-01-12 CN disclosed
CN-111233823-A Synthesis method of 2-fluoro-1, 3-propane sultone 张家港市国泰华荣化工新材料有限公司 2020-06-05 CN disclosed
CN-111233823-A Synthesis method of 2-fluoro-1, 3-propane sultone 张家港市国泰华荣化工新材料有限公司 2020-06-05 CN disclosed
CN-111218126-A Matting agent, compound and polymer 富士胶片和光纯药株式会社 2020-06-02 CN disclosed
US-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2020-04-14 US disclosed
US-5087704-A Infrared light absorbing dye for use in optical recording media or semiconductor laser recording ASAHI CHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-5055589-A Chemical intermediate for cyanine dyes ASAHI CHEMICAL CO., LTD. (JP) 1991-10-08 US disclosed
US-5008401-A Cyanine compounds ASAHI CHEMICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0387360-A1 CYANINE COMPOUNDS ASAHI CHEMICAL CO., LTD. (JP) 1990-09-19 EP disclosed
EP-0387357-A1 INDOLENINE DERIVATIVES ASAHI CHEMICAL CO., LTD. (JP) 1990-09-19 EP disclosed
US-4406905-A COMPLEXING, ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1983-09-27 US disclosed
US-4383126-A Preparation of monoalkyl ethers of hydroxyphenols BAYER AKTIENGESELLSCHAFT (DE) 1983-05-10 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 (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-10618884-B2 Deuterated diaminopyrimidine compounds and pharmaceutical compositions comprising such compounds DCK, DPYD, BRAF MEN1 1518/4885ESR1 4605/4885KMT2A 1408/4885

“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.