SCHEMBL3859623

SCHEMBL3859623

C=C(C)C(=O)OCCNC(C)(C)c1ccccc1.COS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
HTT P42858 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32

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
Sulfuric Acid SCHEMBL2790961 0.94 HTT (0.38) HTTTDP1POLBAPEX1ALDH1A1
SCHEMBL4401452 0.91 HTT (0.41) HTTTDP1POLBAPEX1KCNN4
Iodide SCHEMBL3858235 0.90 HTT (0.40) HTTTDP1POLBAPEX1KCNN4
Bromide SCHEMBL3858373 0.90 HTT (0.40) HTTTDP1POLBAPEX1KCNN4
Hydrochloric Acid SCHEMBL166561 0.90 HTT (0.40) HTTTDP1POLBAPEX1KCNN4
SCHEMBL3861968 0.83 THRB (0.43) HTTKCNN4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28478071 0.81 THRB (0.40) HTTTDP1POLBAPEX1ALDH1A1
SCHEMBL11203319 0.73 THRB (0.43) HTTTDP1POLBAPEX1ALDH1A1
SCHEMBL2880890 0.73 THRB (0.50) HTTTDP1KCNN4ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL10602302 0.72 THRB (0.42) HTTTDP1POLBAPEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937733-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-12-30 EP claimed
US-7619033-B2 Continuous solution polymerization of vinyl-functional cationic monomers, hydrophobic vinyl monomers, and free radical initiator BOSTIK, INC. (US) 2009-11-17 US claimed
US-7592391-B2 Solution polymerizing vinyl-functional cationic monomers, hydrophobic vinyl monomers, vinyl monomers with linear or branched alkyl groups longer than 4 carbons, alkyl hydroxy, polyoxyalkylene, or other functional group, and a free radical initiator BOSTIK, INC. (US) 2009-09-22 US claimed
EP-1756182-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-02-18 EP claimed
EP-1937733-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER Bostik, Inc. (US) 2008-07-02 EP claimed
JP-2007529601-A 2007-10-25 JP claimed
EP-1539259-B1 WET WIPES COMPRISING ION TRIGGERABLE, CATIONIC POLYMERS KIMBERLY CLARK CO (US) 2007-07-25 EP claimed
WO-2007035495-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK, INC. (US) 2007-03-29 WO claimed
EP-1756182-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER Bostik, Inc. (US) 2007-02-28 EP claimed
US-7157389-B2 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. (US) 2007-01-02 US claimed
WO-2005090422-A1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK, INC. (US) 2005-09-29 WO claimed
EP-1539259-A1 ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME Kimberly-Clark Worldwide, Inc. (US) 2005-06-15 EP claimed
EP-1539880-A1 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME Kimberly-Clark Worldwide, Inc. (US) 2005-06-15 EP claimed
WO-2004026352-A1 USE AS BINDER OF ION TRIGGERABLE, VINYL-BASED CATIONIC POLYMERS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
WO-2004026354-A1 ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
US-20040062791-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-04-01 US claimed
WO-2004026351-A2 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
WO-2004026958-A1 IMPROVED ION TRIGGERABLE, CATIONIC POLYMERS, A METHOD OF MAKING SAME AND ITEMS USING SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-04-01 WO claimed
US-20040058606-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-03-25 US claimed
US-20040055704-A1 Ion triggerable, cationic polymers, a method of making same and items using same KIMBERLY-CLARK WORLDWIDE, INC. 2004-03-25 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 (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-20040062791-A1 Ion triggerable, cationic polymers, a method of making same and items using same PWWP2B, DSG1, WDR1 CHRM1 1859/4885CHRM3 2604/4885HTT 300/4885

“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.