SCHEMBL366307

SCHEMBL366307

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

nearest known ligand 0.38

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 0.33
SLC22A16 Q86VW1 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
HRH1 P35367 1/20 0.36
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
TBXA2R P21731 1/20 0.33
CRAT P43155 1/20 0.33
MAPT P10636 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
POLB P06746 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
SCHEMBL718907 0.84 SLC22A16 (0.45) SLC22A16MEN1KMT2ACYP1A2HRH1
Iodide SCHEMBL10588910 0.82 SLC22A16 (0.43) SLC22A16MEN1KMT2ACYP1A2HRH1
Water SCHEMBL16341077 0.82 SLC22A16 (0.43) SLC22A16MEN1KMT2ACYP1A2HRH1
Hydrochloric Acid SCHEMBL9580738 0.82 SLC22A16 (0.43) SLC22A16MEN1KMT2ACYP1A2HRH1
Hydrochloric Acid SCHEMBL719321 0.82 MAPT (0.43) SLC22A16MEN1KMT2ACYP1A2HRH1
SCHEMBL15104879 0.82 CPT2 (0.44) CPT2CPT1A
SCHEMBL2165563 0.78 TSHR (0.46) SLC22A16MEN1KMT2ACYP1A2HRH1
Methacrylic Acid SCHEMBL1874881 0.76 POLB (0.33) MEN1KMT2ACYP1A2HRH1POLB
SCHEMBL7561035 0.75 TGFBR1 (0.39) MEN1KMT2ACYP1A2HRH1TSHR
SCHEMBL10384583 0.75 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008543-A1 MACROMOLECULAR PRODRUG-BASED THERMOSENSITIVE INJECTABLE GEL AS A NOVEL DRUG DELIVERY PLATFORM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US claimed
CN-107522809-B Charge-reversible ion exchange resins, chromatography columns, methods, and systems thereof 戴安公司 2020-04-10 CN claimed
US-10379090-B2 Charge reversible ion exchange resins, chromatography column, method, and system thereof DIONEX CORPORATION (US) 2019-08-13 US claimed
US-20180318773-A1 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER MCMASTER UNIVERSITY 2018-11-08 US claimed
EP-3269394-A1 MACROMOLECULAR DELIVERY SYSTEMS FOR NON-INVASIVE IMAGING, EVALUATION AND TREATMENT OF ARTHRITIS AND OTHER INFLAMMATORY DISEASES University of Utah Research Foundation (US) 2018-01-17 EP claimed
US-20170363592-A1 CHARGE REVERSIBLE ION EXCHANGE RESINS, CHROMATOGRAPHY COLUMN, METHOD, AND SYSTEM THEREOF DIONEX CORPORATION 2017-12-21 US claimed
US-20160166693-A1 RADIATION ENHANCED MACROMOLECULAR DELIVERY OF THERAPEUTIC AGENTS FOR CHEMOTHERAPY UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-06-16 US claimed
US-20120197060-A1 RADIATION ENHANCED MACROMOLECULAR DELIVERY OF THERAPEUTIC AGENTS FOR CHEMOTHERAPY TECHNOLOGY UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-08-02 US claimed
JP-4805939-B2 2011-11-02 JP claimed
US-7883767-B2 two or more consecutive pore-coating layers to a porous support to achieve very hydrophilic composite materials; 1st gel polymer layer having both hydrophobic and hydrophilic properties, second polymer layer which durably coats the surface of the first polymer layer being more hydrophilic than first MCMASTER UNIVERSITY (CA) 2011-02-08 US claimed
EP-1793916-A4 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS UNIV MCMASTER (CA) 2008-05-14 EP claimed
EP-1793916-A1 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS McMaster University (CA) 2007-06-13 EP claimed
EP-1776176-A1 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER McMaster University (CA) 2007-04-25 EP claimed
EP-1737428-A1 MACROMOLECULAR DELIVERY SYSTEMS FOR NON-INVASIVE IMAGING, EVALUATION AND TREATMENT OF ARTHRITIS AND OTHER INFLAMMATORY DISEASES University of Utah Research Foundation (US) 2007-01-03 EP claimed
US-20060121217-A1 Composite material comprising layered hydrophilic coatings MCMASTER UNIVERSITY 2006-06-08 US claimed
WO-2006034575-A1 COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS MCMASTER UNIVERSITY (CA) 2006-04-06 WO claimed
WO-2006015495-A1 COMPOSITE MATERIAL COMPRISING A NON-CROSSLINKED GEL POLYMER MCMASTER UNIVERSITY (CA) 2006-02-16 WO claimed
US-20050287114-A1 Water-soluble polymeric bone-targeting drug delivery system UNIVERSITY OF UTAH RESEARCH FOUNDATION 2005-12-29 US claimed
WO-2005097073-A1 MACROMOLECULAR DELIVERY SYSTEMS FOR NON-INVASIVE IMAGING, EVALUATION AND TREATMENT OF ARTHRITIS AND OTHER INFLAMMATORY DISEASES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2005-10-20 WO claimed
WO-2004062588-A2 WATER-SOLUBLE POLYMERIC BONE-TARGETING DRUG DELIVERY SYSTEM UNIVERSITY OF UTAH (US) 2004-07-29 WO 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 (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-20160166693-A1 RADIATION ENHANCED MACROMOLECULAR DELIVERY OF THERAPEUTIC AGENTS FOR CHEMOTHERAPY MRE11, TOP2A, MTREX CHRM1 4676/4885SLC22A16 2466/4885MEN1 1511/4885
US-20050287114-A1 Water-soluble polymeric bone-targeting drug delivery system HPGDS, CD44, BMP2 CHRM1 2206/4885SLC22A16 169/4885MEN1 1950/4885
US-20220008543-A1 MACROMOLECULAR PRODRUG-BASED THERMOSENSITIVE INJECTABLE GEL AS A NOVEL DRUG DELIVERY PLATFORM PLG, PYGL, PPIG CHRM1 4724/4885SLC22A16 497/4885MEN1 425/4885
US-20120197060-A1 RADIATION ENHANCED MACROMOLECULAR DELIVERY OF THERAPEUTIC AGENTS FOR CHEMOTHERAPY TECHNOLOGY MRE11, MTREX, POLG CHRM1 4671/4885SLC22A16 2404/4885MEN1 1629/4885

“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.