SCHEMBL476725

SCHEMBL476725

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 7/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 2/20 0.44
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
SCHEMBL459573 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL459574 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL10476064 0.98 EPHX1 (0.46) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2494230 0.95 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL2494231 0.95 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7616231 0.93 MME (0.42) EPHX1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL16124605 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7770681 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL16124602 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE
SCHEMBL7770680 0.93 EPHX1 (0.58) EPHX1SMN1; SMN2NPC1RAB9AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016185423-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO 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
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-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001070708-A1 SUBSTITUTED PIPERIDINES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 2001-09-27 WO 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-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 EPHX1 148/4885SMN1; SMN2 96/4885NPC1 3564/4885

“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.