SCHEMBL4591400

SCHEMBL4591400

Cc1nc2c3c(ccn2c1C)[C@@H](O)[C@@H](O)[C@@H](c1ccccc1)O3

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
BRD4 O60885 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1816326 1.00 ATP4A (0.40) ATP4AATP4BCYP3A4CYP2C9BRD4
SCHEMBL4590723 0.83 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL4591093 0.83 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590855 0.83 ATP4A (0.33) ATP4AATP4B
SCHEMBL4590828 0.83 ATP4A (0.35) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL4591100 0.82 ATP4A (0.34) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL4591074 0.82 ATP4A (0.34) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL6023510 0.81 ATP4A (0.34) ATP4AATP4BCYP3A4CYP2C9CYP1A2
SCHEMBL4590864 0.80 ATP4A (0.33) ATP4AATP4B
SCHEMBL4591567 0.80 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 24 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
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
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
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 disclosed
US-7189736-B2 Prodrugs of imidazopyridine derivatives ALTANA PHARMA AG (DE) 2007-03-13 US disclosed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO disclosed
WO-2006117316-A1 MUTUAL PRODRUG COMPOUNDS FOR USE US ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 WO disclosed
EP-1313739-B1 ALKYLATED IMIDAZOPYRIDINE DERIVATIVES ALTANA PHARMA AG (DE) 2006-07-05 EP disclosed
EP-1313740-B1 PRODRUGS OF IMIDAZOPYRIDINE DERIVATIVES ALTANA PHARMA AG (DE) 2005-11-30 EP disclosed
WO-2001072754-A9 ALKYLATED IMIDAZOPYRIDINE DERIVATIVES ALTANA PHARMA AG (DE) 2004-05-06 WO disclosed
US-20030158193-A1 Alkylated imidazopyridine derivatives ALTANA PHARMA AG (DE) 2003-08-21 US disclosed
US-20030125327-A1 Prodrugs of imidazopyridine derivatives ALTANA PHARMA AG (DE) 2003-07-03 US 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-1313740-A1 PRODRUGS OF IMIDAZOPYRIDINE DERIVATIVES ALTANA Pharma AG (DE) 2003-05-28 EP 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
WO-2001072756-A1 PRODRUGS OF IMIDAZOPYRIDINE DERIVATIVES 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 (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-20030125327-A1 Prodrugs of imidazopyridine derivatives SI, CYP2E1, UGT1A1 ATP4A 518/4885ATP4B 1271/4885CYP3A4 10/4885
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 1962/4885CYP3A4 67/4885
US-20030158193-A1 Alkylated imidazopyridine derivatives CYP2E1, SLC10A2, FABP2 ATP4A 276/4885ATP4B 1054/4885CYP3A4 14/4885

“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.