SCHEMBL4359938

SCHEMBL4359938

COc1ccc(C(C=O)C(O)S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
CYP2A6 P11509 1/20 0.39
AOC3 Q16853 2/20 0.38
ACP3 P15309 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 1/20 0.38
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4361673 0.76 ALDH1A1 (0.47) CA1CA2ALDH1A1CA9NPSR1
SCHEMBL8469671 0.75 CA1 (0.47) CA1CA2ACHEALDH1A1PKM
SCHEMBL9862700 0.75 ALDH1A1 (0.47) CA1CA2ACHEALDH1A1CYP2A6
SCHEMBL28277052 0.74 ALDH1A1 (0.45) CA1CA2ACHEALDH1A1CYP2A6
SCHEMBL9862527 0.74 ALDH1A1 (0.45) CA1CA2ACHEALDH1A1CYP2A6
SCHEMBL2591240 0.73 ALDH1A1 (0.48) CA1CA2ALDH1A1CYP2A6AOC3
SCHEMBL27622144 0.72 CA1 (0.51) CA1CA2ACHEALDH1A1PKM
Sulfuric Acid SCHEMBL22498737 0.72 CA1 (0.51) CA1CA2ACHEALDH1A1PKM
SCHEMBL9862690 0.71 ESR1 (0.45) CA1CA2ALDH1A1CYP2A6AOC3
SCHEMBL9862462 0.71 ESR1 (0.45) CA1CA2ALDH1A1CYP2A6AOC3

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
US-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US claimed
EP-1561474-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds of compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-10 EP claimed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US claimed
US-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US disclosed
US-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US disclosed
US-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US disclosed
US-7390837-B2 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2008-06-24 US disclosed
US-7390837-B2 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2008-06-24 US disclosed
CN-1675997-A Alpha-hydroxy sulfonate aldehydes, germicidal compositions and disinfection or sterilization method ETHICON INC (US) 2005-10-05 CN disclosed
EP-1561475-A1 Germicidal compositions containing halogenated phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2005-08-10 EP disclosed
EP-1561474-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds of compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-10 EP disclosed
EP-1561474-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds of compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-10 EP disclosed
US-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
EP-1559435-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-03 EP disclosed
EP-1559704-A1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-08-03 EP disclosed
US-6891069-B1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-05-10 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 (4 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-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ALPG, DDT, DHODH CA1 2191/4885CA2 3632/4885ACHE 3797/4885
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ALPG, G6PD, PGLS CA1 2522/4885CA2 3471/4885ACHE 3843/4885
US-20050171201-A1 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization TST, STS, BPNT1 CA1 1590/4885CA2 1996/4885ACHE 4866/4885
US-20050171121-A1 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization APEH, ALPG, DDT CA1 3558/4885CA2 2823/4885ACHE 4315/4885

“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.