SCHEMBL563564

SCHEMBL563564

CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.80
▸ ATP4B P51164 1/20 0.80

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
SCHEMBL9165498 0.99 ATP4A (0.79) ATP4AATP4B
SCHEMBL9165510 0.99 ATP4A (0.79) ATP4AATP4B
Hydrochloric Acid SCHEMBL9264291 0.99 ATP4A (0.79) ATP4AATP4B
SCHEMBL9267721 0.96 ATP4A (0.75) ATP4AATP4B
SCHEMBL10535714 0.95 ATP4A (0.73) ATP4AATP4B
SCHEMBL9269697 0.94 ATP4A (0.75) ATP4AATP4B
SCHEMBL9269453 0.94 ATP4A (0.75) ATP4AATP4B
SCHEMBL9157247 0.93 ATP4A (0.69) ATP4AATP4B
SCHEMBL9269573 0.91 ATP4A (0.82) ATP4AATP4B
SCHEMBL9157119 0.90 ATP4A (0.76) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-08-02 — — US claimed
EP-1534278-A4 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-09-06 — — EP claimed
JP-2005539013-A — — 2005-12-22 — — JP claimed
EP-1534278-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-01 — — EP claimed
EP-1154771-A4 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-04-20 — — EP claimed
US-6852739-B1 Methods using proton pump inhibitors and nitric oxide donors NITROMED INC. (US) 2005-02-08 — — US claimed
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-12-30 — — US claimed
WO-2004012659-A2 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 — — WO claimed
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-02-05 — — US claimed
EP-0841904-B1 ORAL PHARMACEUTICAL COMPOSITIONS WITH DELAYED RELEASE OF REVERSIBLE PROTON PUMP INHIBITORS ALTANA PHARMA AG (DE) 2003-02-05 — — EP claimed
JP-2002537336-A — — 2002-11-05 — — JP claimed
EP-1154771-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-11-21 — — EP claimed
US-6132768-A FOR TREATING DISORDERS CAUSED BY HELICOBACTER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-17 — — US claimed
WO-2000050037-A1 NITROSATED AND NITROSYLATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-08-31 — — WO claimed
EP-0841904-A1 ORAL PHARMACEUTICAL COMPOSITIONS WITH DELAYED RELEASE OF REVERSIBLE PROTON PUMP INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-05-20 — — EP claimed
WO-1997002021-A1 ORAL PHARMACEUTICAL COMPOSITIONS WITH DELAYED RELEASE OF REVERSIBLE PROTON PUMP INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-01-23 — — WO claimed
EP-0330485-B1 4-AMINO-3-ACYL QUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION SmithKline Beecham Intercredit B.V. (NL) 1993-05-26 — — EP claimed
US-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 — — US claimed
US-9085508-B2 Nitric oxide releasing amino acid ester compound, composition and method of use ORAL DELIVERY TECHNOLOGY LTD. (US) 2015-07-21 — — US disclosed
EP-0330485-A1 4-Amino-3-acyl quinoline derivatives and their use as inhibitors of gastric acid secretion SmithKline Beecham Intercredit B.V. (NL) 1989-08-30 — — 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 (3 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-20070179150-A1 NITROSATED PROTON PUMP INHIBITORS, COMPOSITIONS AND METHODS OF USE NOS1, PTGS1, NOS2 ATP4A 223/4885ATP4B 220/4885
US-20040024014-A1 Nitrosated proton pump inhibitors, compositions and methods of use NOS1, PTGS1, NOS2 ATP4A 223/4885ATP4B 220/4885
US-20040266828-A1 Nitrosated and nitrosylated proton pump inhibitors, compositions and methods of use NOS2, NOS1, PTGS2 ATP4A 242/4885ATP4B 123/4885

“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