SCHEMBL554131

SCHEMBL554131

CCN(CCO)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.55
PAX8 Q06710 1/20 0.55
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.46
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42

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
SCHEMBL554069 0.90 CCR6 (0.64) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL13661129 0.89 CCR6 (0.57) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL18594775 0.89 CCR6 (0.52) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL15841147 0.89 CCR6 (0.62) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL16665613 0.89 ALDH1A1 (0.58) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL30311458 0.88 CCR6 (0.48) CCR6PAX8ALDH1A1L3MBTL1PTGDR2
SCHEMBL7366351 0.86 CCR6 (0.53) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL1328808 0.86 CCR6 (0.50) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL9942494 0.86 CCR6 (0.57) CCR6PAX8ALDH1A1LMNAMAPK1
SCHEMBL20340950 0.86 CCR6 (0.50) CCR6PAX8ALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005046-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2024-03-21 US disclosed
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-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-01-19 US disclosed
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. (US) 2022-12-15 US disclosed
EP-4011870-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-06-15 EP disclosed
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. 2021-08-05 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
EP-2601177-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-20130130183-A1 NEGATIVE PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-05-23 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 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 (11 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 CCR6 927/4885PAX8 4426/4885ALDH1A1 5/4885
US-12005046-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CCR6 927/4885PAX8 4426/4885ALDH1A1 5/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 CCR6 919/4885PAX8 4567/4885ALDH1A1 9/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 CCR6 927/4885PAX8 4426/4885ALDH1A1 5/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CCR6 927/4885PAX8 4426/4885ALDH1A1 5/4885
US-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX CCR6 2806/4885PAX8 4207/4885ALDH1A1 1025/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CCR6 919/4885PAX8 4567/4885ALDH1A1 9/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 CCR6 4047/4885PAX8 3864/4885ALDH1A1 2563/4885
US-20210236470-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CCR6 919/4885PAX8 4567/4885ALDH1A1 9/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 CCR6 927/4885PAX8 4426/4885ALDH1A1 5/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 CCR6 919/4885PAX8 4567/4885ALDH1A1 9/4885

“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.