SCHEMBL4593053

SCHEMBL4593053

CC([O])OC(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
EPHX1 P07099 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
TP53 P04637 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
SCHEMBL16590946 0.87 SHBG (0.42) SHBGEPHX1CA12CA1CA2
SCHEMBL24722747 0.84 SHBG (0.38) SHBGEPHX1CA12CA1CA2
SCHEMBL10437743 0.84 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL3313525 0.84 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL3311552 0.81 SHBG (0.39) SHBGEPHX1CA12CA1CA2
SCHEMBL8160857 0.75 SHBG (0.33) SHBG
SCHEMBL2831266 0.75 SHBG (0.37) SHBGEPHX1CA12CA1CA2
SCHEMBL17789938 0.75 SHBG (0.37) SHBGEPHX1CA12CA1CA2
SCHEMBL20594356 0.73 SHBG (0.43) SHBGEPHX1CA12CA1CA2
SCHEMBL20594181 0.73 SHBG (0.43) SHBGEPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934215-A1 ISOTOPICALLY SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS Nycomed GmbH (DE) 2008-06-25 EP disclosed
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
US-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion ALTANA PHARMA AG (DE) 2008-05-22 US disclosed
EP-1910313-A1 6-THIOAMIDE SUBSTITUTED BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-16 EP disclosed
WO-2008015196-A1 5-,7-BIS-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES NYCOMED GMBH (DE) 2008-02-07 WO disclosed
US-7326718-B2 8-Substituted imidazopyridines ALTANA PHARMA AG (DE) 2008-02-05 US disclosed
EP-1824850-A2 SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2007-08-29 EP disclosed
WO-2007039464-A1 ISOTOPICALLY SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed
EP-1756067-A1 7-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC ACID SECRETION Altana Pharma AG (DE) 2007-02-28 EP disclosed
US-20040214852-A1 Polysubstituted imidazopyridines ALTANA PHARMA AG (DE) 2004-10-28 US disclosed
WO-2004046144-A1 8-SUBSTITUTED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2004-06-03 WO disclosed
US-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2004-06-03 US disclosed
EP-1419156-A1 ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA Pharma AG (DE) 2004-05-19 EP disclosed
EP-1417208-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ALTANA Pharma AG (DE) 2004-05-12 EP disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 EP disclosed
WO-2003016310-A1 ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2003-02-27 WO disclosed
WO-2003014120-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ALTANA PHARMA AG (DE) 2003-02-20 WO disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 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-20040106642-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS GIPR, SLC10A2, VIP SHBG 2692/4885EPHX1 3478/4885CA12 2639/4885
US-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion GIPR, CCKBR, GRPR SHBG 3312/4885EPHX1 1363/4885CA12 1097/4885
US-20040214852-A1 Polysubstituted imidazopyridines GIPR, VIP, SLC10A2 SHBG 2441/4885EPHX1 3587/4885CA12 2601/4885

“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.