SCHEMBL189776

SCHEMBL189776

CC(C)(C)N(CC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.43
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL20188230 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL19844603 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL18154113 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL29144367 0.84 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ATDP1MAPK1
SCHEMBL392835 0.82 PAM (0.50) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPK1
SCHEMBL7855035 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL30327111 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
Glycolic Acid SCHEMBL537258 0.81 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL393742 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL393395 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 WO disclosed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994010134-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO disclosed
US-4375433-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-03-01 US disclosed
US-4252722-A CHEMICAL INTERMEDIATE MERCK & CO., INC. (US) 1981-02-24 US disclosed
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed
EP-0010312-A2 Process for the preparation of 6-hydroxymethyl-2-(beta-aminoethylthio)-1-carbadethiapen-2-em-3-carboxylic acid and intermediates useful in this process MERCK & CO. INC. (US) 1980-04-30 EP disclosed
EP-0002822-A1 Phosphorus containing peptide derivatives, their production, intermediates for their production and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 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 (6 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885SMN1; SMN2 96/4885L3MBTL1 449/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885SMN1; SMN2 96/4885L3MBTL1 449/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALDH1A1 9/4885SMN1; SMN2 92/4885L3MBTL1 743/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 ALDH1A1 8/4885SMN1; SMN2 117/4885L3MBTL1 831/4885
US-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ALDH1A1 2742/4885SMN1; SMN2 2528/4885L3MBTL1 1032/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALDH1A1 5/4885SMN1; SMN2 96/4885L3MBTL1 449/4885

“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.