Sugi Predict

Sugi Predict / Compounds / SCHEMBL4590723

SCHEMBL4590723

SCHEMBL4590723

CCO[C@@H]1c2ccn3c(C)c(C)nc3c2O[C@H](c2ccccc2)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 3/20 0.35
▸ ATP4B P51164 3/20 0.35
▸ HCRTR1 O43613 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4590828 1.00 ATP4A (0.35) ATP4AATP4BHCRTR1TP53MAPT
SCHEMBL4591567 0.90 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590815 0.90 ATP4A (0.33) ATP4AATP4B
SCHEMBL4591074 0.90 ATP4A (0.34) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL4591100 0.90 ATP4A (0.34) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL4590978 0.88 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590864 0.88 ATP4A (0.33) ATP4AATP4B
SCHEMBL4591480 0.86 ATP4A (0.33) ATP4AATP4B
SCHEMBL4591844 0.86 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590855 0.85 ATP4A (0.33) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 — — EP claimed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 — — EP claimed
EP-1286999-B1 PYRANO[2,3-c]IMIDAZO[1,2-a]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS NYCOMED GMBH (DE) 2007-12-19 — — EP claimed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 — — WO claimed
WO-2006117316-A1 MUTUAL PRODRUG COMPOUNDS FOR USE US ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 — — WO claimed
US-20060241134-A1 Pharmaceutical combinations of a proton pump inhibitor and a compound which modifies gastrointestinal motility ALTANA PHARMA GA (DE) 2006-10-26 — — US claimed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 — — US claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 — — EP claimed
US-20050020637-A1 Agents for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-01-27 — — US claimed
EP-1453493-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA Pharma AG (DE) 2004-09-08 — — EP claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 — — WO claimed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 — — WO claimed
US-20080102133-A1 Oral Pharmaceutical Preparation for Proton Pump Antagonists ALTANA PHARMA AG (DE) 2008-05-01 — — US disclosed
US-20080050428-A1 Oral Pharmaceutical Preparation Comprising a Proton Pump Antagonist and a Basic Excipient ALTANA PHARMA AG (DE) 2008-02-28 — — US disclosed
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 — — EP disclosed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 — — EP disclosed
WO-2003043614-A2 REVERSIBLE PROTON PUMP INHIBITORS FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-05-30 — — WO disclosed
US-20030100578-A1 Pyrano[2,3-c]imidazo[-1,2-a]pyridine derivatives for the treatment of gastrointestinal disorders ALTANA PHARMA AG (DE) 2003-05-29 — — US disclosed
EP-1286999-A1 PYRANO[2,3-c]IMIDAZO[1,2-a]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA Pharma AG (DE) 2003-03-05 — — EP disclosed
WO-2001072755-A1 PYRANO[2,3-C]IMIDAZO[-1,2-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2001-10-04 — — 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-20030100578-A1 Pyrano[2,3-c]imidazo[-1,2-a]pyridine derivatives for the treatment of gastrointestinal disorders ALPI, GIPR, SLC10A2 ATP4A 618/4885ATP4B 1962/4885HCRTR1 978/4885

“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.