SCHEMBL5078202

SCHEMBL5078202

O=C1COCC2=C1C(c1csc([N+](=O)[O-])c1)C1=C(COCC1=O)N2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.55
KCNJ11 Q14654 20/20 0.55
ABCC8 Q09428 13/20 0.55
KCNJ8 Q15842 13/20 0.55

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
SCHEMBL5074892 0.89 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6644340 0.82 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5075492 0.76 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7099788 0.75 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5075374 0.73 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5074918 0.73 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6908842 0.73 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5074900 0.69 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7150757 0.67 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5075085 0.67 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP claimed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US claimed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP claimed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 US claimed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 WO claimed
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 US 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 ABCC9 632/4885KCNJ11 4/4885ABCC8 915/4885

“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.