Sulfurous Acid

Sulfurous Acid

SCHEMBL1825613

O=S([O-])O.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.33

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
EPHX2 P34913 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
EDNRA P25101 1/20 0.31
G6PD P11413 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DAO P14920 1/20 0.31
TSHR P16473 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC4 P56524 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
Bicarbonate SCHEMBL105149 0.79 CA2 (0.46) EPHX1CES2CES1CA2CA4
Bicarbonate SCHEMBL108506 0.79 CA2 (0.46) EPHX1CES2CES1CA2CA4
SCHEMBL36560 0.78 ALDH1A1 (0.40) CA2CA4ALDH1A1TSHRCYP2D6
Oxalic Acid SCHEMBL108407 0.77 CA4 (0.44) EPHX1CES2CES1CA2CA4
SCHEMBL30561568 0.75 CYP3A4 (0.35) CA2CA4ALDH1A1TSHRCYP2D6
Acetic Acid SCHEMBL107583 0.75 CA2 (0.42) CES2CES1CA2CA4ALDH1A1
Sulfuric Acid SCHEMBL1062108 0.75 TSHR (0.44) CA2CA4ALDH1A1TSHRSMN1; SMN2
Oxalic Acid SCHEMBL108586 0.75 CA2 (0.42) CES2CES1CA2CA4EDNRA
Fluoride Ion SCHEMBL25292299 0.74 ALDH1A1 (0.39) CA2CA4ALDH1A1TSHRCYP2D6
Water SCHEMBL105507 0.74 ALDH1A1 (0.38) CA2CA4ALDH1A1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668038-B1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES CO (US) 2011-05-04 EP disclosed
US-7465758-B2 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-16 US disclosed
EP-1663115-B1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7329692-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-02-12 US disclosed
US-20080014560-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES COMPANY 2008-01-17 US disclosed
US-7250452-B2 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-31 US disclosed
EP-1668038-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M Innovative Properties Company (US) 2006-06-14 EP disclosed
US-20060111462-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
US-7030169-B2 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-18 US disclosed
WO-2005035590-A1 ARYLSULFINATE SALTS IN INITIATOR SYSTEMS FOR POLYMERIC REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070622-A1 Arylsulfinate salts in initiator systems for polymeric reactions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
US-20050070627-A1 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 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-20080014560-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS ARSA, EPN1, SUDS3 EPHX1 177/4885CES2 318/4885CES1 1096/4885

“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.