SCHEMBL1406196

SCHEMBL1406196

C=CC(=O)OC(C)C[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.46
CHRM3 known ✓ P20309 1/20 0.45
TSHR P16473 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
TBXA2R P21731 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CHRM5 P08912 1/20 0.45
CYP2C9 P11712 1/20 0.45
GALR3 O60755 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL28170181 0.92 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28038694 0.89 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2946080 0.87 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28073958 0.85 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1238012 0.85 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL864444 0.80 TSHR (0.34) TSHR
SCHEMBL1683535 0.78 TSHR (0.34) TSHR
SCHEMBL27605752 0.78 TSHR (0.34) TSHR
SCHEMBL27632852 0.76 TSHR (0.32) TSHR
SCHEMBL6116476 0.75 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026849-A2 CURABLE HYDROPHILIC COMPOSITIONS 3M Innovative Properties Company (US) 2009-02-25 EP claimed
WO-2008060677-A2 CURABLE HYDROPHILIC COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-05-22 WO claimed
US-20070275042-A1 CURABLE HYDROPHILIC COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2007-11-29 US claimed
US-7005143-B2 Gel materials, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-02-28 US claimed
EP-1494727-A1 GEL MATERIALS, MEDICAL ARTICLES, AND METHODS 3M Innovative Properties Company (US) 2005-01-12 EP claimed
US-20030203011-A1 Gel materials, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-30 US claimed
WO-2003086493-A1 GEL MATERIALS, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-23 WO claimed
EP-2462956-B2 Absorbent medical articles 3M INNOVATIVE PROPERTIES CO (US) 2017-03-29 EP disclosed
EP-1897566-B1 Gel materials, medical articles, and methods 3M INNOVATIVE PROPERTIES CO (US) 2017-02-22 EP disclosed
EP-1572254-B1 ABSORBENT MEDICAL ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2015-11-04 EP disclosed
US-8609131-B2 Absorbent dressing comprising hydrophilic polymer prepared via Michael reaction 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-17 US disclosed
EP-1855730-B1 ABSORBENT DRESSING COMPRISING HYDROPHILIC POLYMER 3M INNOVATIVE PROPERTIES CO (US) 2013-12-11 EP disclosed
US-8410332-B2 Absorbent medical articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-02 US disclosed
WO-2005035607-A1 REACTIVE HYDROPHILIC OLIGOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070688-A1 Reactive hydrophilic oligomers 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
EP-1494727-A1 GEL MATERIALS, MEDICAL ARTICLES, AND METHODS 3M Innovative Properties Company (US) 2005-01-12 EP disclosed
WO-2004060413-A1 ABSORBENT MEDICAL ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
US-20040133143-A1 Absorbent medical articles 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
US-20030203011-A1 Gel materials, medical articles, and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-30 US disclosed
WO-2003086493-A1 GEL MATERIALS, MEDICAL ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-23 WO 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-20030203011-A1 Gel materials, medical articles, and methods PTGES, PTGS2, PTGIS CHRM1 4744/4885CHRM3 4655/4885TSHR 4841/4885

“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.