SCHEMBL3814724

SCHEMBL3814724

C[C@H](CC[C]=O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.71
EPHA2 P29317 3/20 0.71
HSD17B10 Q99714 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
AKR1B10 O60218 2/20 0.71
AKR1B1 P15121 2/20 0.71
LMNA P02545 2/20 0.71
EFNA1 P20827 1/20 0.71
PSEN1 P49768 1/20 0.71
PSEN2 P49810 1/20 0.71
APH1B Q8WW43 1/20 0.71
NCSTN Q92542 1/20 0.71
APH1A Q96BI3 1/20 0.71
PSENEN Q9NZ42 1/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
CASP7 P55210 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
BLM P54132 2/20 0.52

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
SCHEMBL20815380 1.00 GPBAR1 (0.71) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7699066 0.88 GPBAR1 (0.67) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL26753858 0.86 GPBAR1 (0.68) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL1358416 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL28179700 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL25515762 0.86 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL7617897 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL20748953 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL14812914 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10
SCHEMBL19313992 0.85 GPBAR1 (0.73) GPBAR1EPHA2HSD17B10TDP1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
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
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-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
US-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC. (CA) 2017-04-06 US disclosed
US-9499480-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2016-11-22 US disclosed
EP-2862581-A2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI Limited Partnership (CA) 2015-04-22 EP 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
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

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-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 GPBAR1 585/4885EPHA2 343/4885HSD17B10 1487/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 GPBAR1 603/4885EPHA2 323/4885HSD17B10 1477/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP GPBAR1 635/4885EPHA2 392/4885HSD17B10 1475/4885
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP GPBAR1 635/4885EPHA2 392/4885HSD17B10 1475/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 GPBAR1 585/4885EPHA2 343/4885HSD17B10 1487/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 GPBAR1 585/4885EPHA2 343/4885HSD17B10 1487/4885
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 GPBAR1 1099/4885EPHA2 1820/4885HSD17B10 446/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 GPBAR1 585/4885EPHA2 343/4885HSD17B10 1487/4885

“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.