SCHEMBL476726

SCHEMBL476726

CCCCOC(=O)C[C@@H](N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.49
SLC1A1 P43005 3/20 0.49
SLC1A3 P43003 2/20 0.49
P2RY10 O00398 8/20 0.48
GPR34 Q9UPC5 3/20 0.48
GRIK1 P39086 4/20 0.47
GRIK2 Q13002 3/20 0.47
NOD1 Q9Y239 1/20 0.46
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ATM Q13315 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
SCHEMBL27532543 1.00 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3P2RY10GPR34
SCHEMBL1514886 1.00 SLC1A2 (0.49) SLC1A2SLC1A1SLC1A3P2RY10GPR34
SCHEMBL16124672 0.93 NAAA (0.56) SLC1A2SLC1A1P2RY10GPR34GRIK1
SCHEMBL7918479 0.93 NAAA (0.56) SLC1A2SLC1A1P2RY10GPR34GRIK1
SCHEMBL7781906 0.93 NAAA (0.56) SLC1A2SLC1A1P2RY10GPR34GRIK1
SCHEMBL7775094 0.93 NAAA (0.56) SLC1A2SLC1A1P2RY10GPR34GRIK1
Hydrogen Peroxide SCHEMBL7158839 0.89 GRIK1 (0.46) SLC1A2SLC1A1SLC1A3P2RY10GPR34
SCHEMBL1075215 0.89 GRIK1 (0.46) SLC1A2SLC1A1SLC1A3P2RY10GPR34
SCHEMBL6824845 0.89 SLC1A2 (0.46) SLC1A2SLC1A1SLC1A3P2RY10GPR34
SCHEMBL2455906 0.89 SLC1A2 (0.46) SLC1A2SLC1A1SLC1A3P2RY10GPR34

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-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 WO disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed
EP-2410857-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111058-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
EP-1664001-A2 BIARYL HETEROCYCLIC AMINES, AMIDES, AND SULFUR-CONTAINING COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005012270-A2 BIARYL HETEROCYCLIC AMINES, AMIDES, AND SULFUR-CONTAINING COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1087935-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2001-04-04 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-1999065866-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1999-12-23 WO disclosed
EP-0942906-A2 COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-09-22 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
WO-1998030558-A2 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF FARNESYL PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-07-16 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 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 (1 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS SLC1A2 2337/4885SLC1A1 2432/4885SLC1A3 3643/4885

“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.