SCHEMBL6905280

SCHEMBL6905280

CC1=C(S(C)(=O)=O)C(c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.63
KCNJ11 Q14654 19/20 0.63
ABCC8 Q09428 17/20 0.63
KCNJ8 Q15842 17/20 0.63
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL6908888 0.85 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL6911451 0.84 ABCC9 (0.43) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL7823829 0.83 ABCC9 (0.84) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7095905 0.82 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL6910783 0.82 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
Hydrochloric Acid SCHEMBL7097219 0.80 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL6903922 0.80 FFAR3 (0.57) ALDH1A1ALOX15MAPK1
SCHEMBL7101463 0.80 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL7097221 0.79 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1
SCHEMBL7836348 0.78 ABCC9 (0.72) ABCC9KCNJ11ABCC8KCNJ8ALDH1A1

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-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP claimed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US claimed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US claimed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP claimed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 WO claimed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
US-20010036950-A1 Potassium channel openers CARROLL WILLIAM A (US) 2001-11-01 US disclosed
US-6265417-B1 MUSCLE RELAXANTS ABBOTT LABORATORIES 2001-07-24 US disclosed
EP-1040097-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2000-10-04 EP disclosed
WO-1999031059-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 1999-06-24 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-20010036950-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ABCC9 300/4885KCNJ11 2/4885ABCC8 376/4885

“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.