SCHEMBL3864634

SCHEMBL3864634

N[C@H](CC(=O)O)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ KYNU Q16719 1/20 0.55
▸ HIF1A Q16665 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ANPEP P15144 1/20 0.47
▸ ENPEP Q07075 1/20 0.47
▸ ADRB1 P08588 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ MIF P14174 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ GABBR2 O75899 1/20 0.44
▸ GABBR1 Q9UBS5 1/20 0.44
▸ GRIA2 P42262 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA6 P23280 1/20 0.41

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
SCHEMBL3874627 1.00 KMT2A (0.60) KMT2ASMN1; SMN2KYNUHIF1AKDM4E
SCHEMBL3864639 1.00 KMT2A (0.60) KMT2ASMN1; SMN2KYNUHIF1AKDM4E
SCHEMBL7107654 0.86 KYNU (0.51) KMT2ASMN1; SMN2KYNUHIF1AKDM4E
SCHEMBL26629503 0.83 KYNU (0.51) KMT2ASMN1; SMN2KYNUHIF1AKDM4E
SCHEMBL4612046 0.82 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2KYNUANPEPENPEP
SCHEMBL20545926 0.82 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2KYNUANPEPENPEP
SCHEMBL5858131 0.81 GABBR2 (0.52) KMT2ASMN1; SMN2KYNUHIF1AKDM4E
SCHEMBL21459503 0.81 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL20546130 0.81 KMT2A (0.58) KMT2ASMN1; SMN2ANPEPENPEPGABBR2
SCHEMBL825322 0.81 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ANPEPENPEPGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 — — US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 — — US disclosed
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 — — US disclosed
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE SENDA BIOSCIENCES, INC. 2022-02-17 — — US disclosed
EP-3891122-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE Senda Biosciences, Inc. (US) 2021-10-13 — — EP disclosed
CN-113302176-A Decarboxylase inhibitors for the treatment of parkinson's disease 先达生物科技公司 2021-08-24 — — CN disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 — — EP disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 — — US disclosed
WO-2020118163-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE KINTAI THERAPEUTICS, INC. (US) 2020-06-11 — — WO disclosed
US-20190330618-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2019-10-31 — — US disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 — — US disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 — — US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 — — EP disclosed
EP-1034164-B1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2004-05-19 — — EP disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 — — US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 — — EP disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 — — US disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 — — EP disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 — — EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 — — 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 (5 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 KMT2A 4127/4885SMN1; SMN2 3856/4885KYNU 1286/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 KMT2A 2146/4885SMN1; SMN2 834/4885KYNU 161/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KMT2A 1769/4885SMN1; SMN2 725/4885KYNU 874/4885
US-20220048849-A1 DECARBOXYLASE INHIBITORS FOR TREATING PARKINSON'S DISEASE DDC, DDT, DDO KMT2A 1905/4885SMN1; SMN2 983/4885KYNU 194/4885
US-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 KMT2A 568/4885SMN1; SMN2 151/4885KYNU 13/4885

“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.

Send feedback