SCHEMBL2027

SCHEMBL2027

Cc1ccc(S(=O)(=O)OO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 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
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TLR9 Q9NR96 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL12830396 0.82 GAA (0.50) GAACA1CA2MMP1MMP2
SCHEMBL6490 0.80 GAA (0.59) GAACA1CA2MMP1MMP2
SCHEMBL7186972 0.80 GAA (0.59) GAACA1CA2MMP1MMP2
SCHEMBL4760574 0.79 GAA (0.52) GAACA1CA2MMP1MMP2
Water SCHEMBL3352692 0.78 GAA (0.56) GAACA1CA2MMP1MMP2
SCHEMBL27524 0.78 GAA (0.56) GAACA1CA2MMP1MMP2
SCHEMBL15256448 0.78 GAA (0.56) GAACA1CA2MMP1MMP2
SCHEMBL9901122 0.78 GAA (0.56) GAACA1CA2MMP1MMP2
SCHEMBL30862469 0.78 GAA (0.56) GAACA1CA2MMP1MMP2
SCHEMBL526315 0.77 GAA (0.50) GAACA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118345122-A Method for pretreating lignocellulose raw material by using p-toluenesulfonic acid-hydrogen peroxide and application 中国石油化工股份有限公司 2024-07-16 CN claimed
CN-118146177-A Preparation method of propiolactone 万华化学集团股份有限公司 2024-06-07 CN claimed
EP-4192820-A1 A PROCESS FOR PREPARATION OF OXAZOLE COMPOUNDS DSM IP Assets B.V. (NL) 2023-06-14 EP claimed
CN-111606883-A Sulfur-containing compound based on glutarimide framework and application thereof 上海科技大学 2020-09-01 CN claimed
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS XENOPORT, INC. (US) 2010-02-18 US claimed
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US claimed
US-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds ARBOR PHARMACEUTICALS, LLC 2005-03-31 US claimed
EP-0600317-B1 Process for the preparation of halogenated benzoic acids HOECHST AG (DE) 1997-03-12 EP claimed
US-5481032-A Process for the preparation of halogenated benzoic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US claimed
US-4463172-A Process for producing 2-methyl cephem-2-em and 2-methylcephem-3-em derivitaves TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-07-31 US claimed
CN-118345122-A Method for pretreating lignocellulose raw material by using p-toluenesulfonic acid-hydrogen peroxide and application 中国石油化工股份有限公司 2024-07-16 CN disclosed
CN-118345122-A Method for pretreating lignocellulose raw material by using p-toluenesulfonic acid-hydrogen peroxide and application 中国石油化工股份有限公司 2024-07-16 CN disclosed
CN-118345122-A Method for pretreating lignocellulose raw material by using p-toluenesulfonic acid-hydrogen peroxide and application 中国石油化工股份有限公司 2024-07-16 CN disclosed
CN-118146177-A Preparation method of propiolactone 万华化学集团股份有限公司 2024-06-07 CN disclosed
US-11999890-B2 Surfactants for electronics ADVANSIX RESINS AND CHEMICALS LLC (US) 2024-06-04 US disclosed
US-4069324-A CEPHALOSPORIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 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 (3 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-20050070715-A1 Methods for synthesis of acyloxyalkyl compounds AADAC, CYP2D6, CYP3A7 GAA 369/4885CA1 854/4885CA2 1296/4885
US-11999890-B2 Surfactants for electronics STOM, ESPL1, SMURF1 GAA 2680/4885CA1 1675/4885CA2 3242/4885
US-20100041882-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL COMPOUNDS AADAC, CYP2D6, CYP3A7 GAA 369/4885CA1 854/4885CA2 1296/4885

“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.