SCHEMBL3814641

SCHEMBL3814641

CC(=O)OC(C)OC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
ALOX15 P16050 1/20 0.35
PGR P06401 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
FFAR3 O14843 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
SCHEMBL5986607 1.00 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Acetic Acid SCHEMBL11076307 0.88 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL987906 0.88 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4367765 0.88 TSHR (0.40) TSHRTP53FFAR3LCKFYN
Ethylene SCHEMBL687838 0.82 TSHR (0.36) TSHRTP53
SCHEMBL9747539 0.80 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3814630 0.80 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10403865 0.78 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1460735 0.77 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16198017 0.77 TSHR (0.58) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 US disclosed
EP-3851447-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2023-09-06 EP disclosed
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2021-12-16 US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
EP-2862581-B1 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LP (CA) 2021-08-11 EP disclosed
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 EP disclosed
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BELLUS HEALTH INC. (CA) 2021-06-01 US disclosed
US-10954250-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2021-03-23 US disclosed
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid Bellus Health, Inc. (CA) 2020-12-08 US disclosed
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2020-08-13 US disclosed
EP-2089417-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LTD PARTNERSHIP (CA) 2014-12-31 EP disclosed
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LIMITED PARTNERSHIP (CA) 2014-08-07 US disclosed
US-8748656-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2014-06-10 US disclosed
WO-2013088255-A1 PRODRUGS OF SECONDARY AMINE COMPOUNDS ALKERMES PHARMA IRELAND LIMITED (IE) 2013-06-20 WO disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2089417-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS Health (International) Limited (CH) 2009-08-19 EP disclosed
WO-2009019534-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (US) 2009-02-12 WO disclosed
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease BELLUS HEALTH INC. (CA) 2008-06-19 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP 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 (8 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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 TSHR 4797/4885CHRM2 972/4885CHRM4 1155/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP TSHR 4814/4885CHRM2 940/4885CHRM4 1134/4885
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP TSHR 4814/4885CHRM2 940/4885CHRM4 1134/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 TSHR 4797/4885CHRM2 940/4885CHRM4 1136/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 TSHR 4797/4885CHRM2 940/4885CHRM4 1136/4885
US-10954250-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 TSHR 1367/4885CHRM2 314/4885CHRM4 1065/4885
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease DNPEP, DAO, APP TSHR 2543/4885CHRM2 643/4885CHRM4 1131/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 TSHR 4797/4885CHRM2 940/4885CHRM4 1136/4885

“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.