SCHEMBL4989084

SCHEMBL4989084

NC(=O)CCC(N)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
IDO1 P14902 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
SLC15A1 P46059 1/20 0.45
LAP3 P28838 1/20 0.45

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
SCHEMBL4989088 1.00 LTA4H (0.48) LTA4HALDH1A1KMT2AALOX15BLM
Hydrochloric Acid SCHEMBL7393352 0.98 LTA4H (0.47) LTA4HALDH1A1KMT2AALOX15BLM
Hydrochloric Acid SCHEMBL9188911 0.98 LTA4H (0.47) LTA4HALDH1A1KMT2AALOX15BLM
Trifluoroacetic Acid SCHEMBL28255326 0.92 LTA4H (0.43) LTA4HALDH1A1KMT2AALOX15BLM
SCHEMBL561573 0.89 LTA4H (0.56) LTA4HALDH1A1KMT2AIDO1MAPK1
SCHEMBL28192478 0.89 LTA4H (0.56) LTA4HALDH1A1KMT2AIDO1MAPK1
SCHEMBL124387 0.89 LTA4H (0.56) LTA4HALDH1A1KMT2AIDO1MAPK1
SCHEMBL21232385 0.89 LTA4H (0.56) LTA4HALDH1A1KMT2AIDO1MAPK1
SCHEMBL6672089 0.88 LTA4H (0.44) LTA4HALDH1A1KMT2AALOX15BLM
Hydrochloric Acid SCHEMBL15266392 0.87 LTA4H (0.54) LTA4HALDH1A1KMT2AIDO1MAPK1

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 66 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 claimed
EP-3851447-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2023-09-06 EP claimed
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 EP claimed
CN-102241674-B Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2012-09-12 CN claimed
CN-102250202-A 1-paranitrophenyl-beta-carboline-3-formyl amine acid carbamates and synthesis method and use thereof UNIV CAPITAL MEDICAL 2011-11-23 CN claimed
CN-102241674-A Synthesis method and antitumor activity evaluation of 1,1-dimethyl-beta-carboline-3-formacyl amino acid benzyl ester UNIV CAPITAL MEDICAL 2011-11-16 CN claimed
CN-101497615-B Substituted purine, preparation and use in medicine ZHEJIANG MED XINCHANG PHARM 2010-12-15 CN claimed
CN-101906102-A Beta-carboline alkaloid derivative, preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-08 CN claimed
CN-101597289-A 2-tryptophyl-beta-tetrahydro carboline-3-formyol amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101597290-A β-Ka Lin-3-formyl tryptophyl amino-acid benzyl ester and its production and application UNIV CAPITAL MEDICAL (CN) 2009-12-09 CN claimed
CN-101497615-A Substituted purine, preparation and use in medicine XINCHANG PHARMACEUTICAL FACTORY ZHEJIANG MEDICINE CO LTD (CN) 2009-08-05 CN claimed
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 claimed
CN-119751538-A Medicine for removing fat or fat pad and application 西安莱格瑞生物科技有限公司 2025-04-04 CN disclosed
CN-117815245-A Medicine for removing fat or fat pad and application 西安莱格瑞生物科技有限公司 2024-04-05 CN disclosed
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-4289820-A2 COMPOUNDS FOR USE IN TREATING ALZHEIMER'S DISEASE IN APOE4+/+ PATIENTS Alzheon, Inc. (US) 2023-12-13 EP disclosed
EP-0514359-B1 Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same, for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the processes of learning and memory, and for the treatment of coma SIGMA TAU IND FARMACEUTI (IT) 1995-09-13 EP disclosed
US-5270472-A Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the process of learning and memory and for the treatment of coma SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-14 US disclosed
EP-0514359-A2 Alkanoyl L-carnitine amides with aminoacids and pharmaceutical compositions containing same, for promoting regeneration of the nervous tissue, inhibiting neuronal degeneration, enhancing the processes of learning and memory, and for the treatment of coma Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-11-19 EP disclosed
US-4053588-A PYROGLUTAMIC ACID AMIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-11 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 (2 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 LTA4H 982/4885ALDH1A1 888/4885KMT2A 3091/4885
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 LTA4H 1290/4885ALDH1A1 103/4885KMT2A 2014/4885

“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.