SCHEMBL6911451

SCHEMBL6911451

CC1=C(S(C)(=O)=O)C(c2cc(F)c(F)c(F)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.43
ABCC8 Q09428 13/20 0.43
KCNJ11 Q14654 13/20 0.43
KCNJ8 Q15842 13/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GPR174 Q9BXC1 2/20 0.42
FFAR3 O14843 1/20 0.42
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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 0.86 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6905280 0.84 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6903922 0.80 FFAR3 (0.57) KDM4EALDH1A1GPR174FFAR3HPGD
SCHEMBL6910783 0.80 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6904767 0.77 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910323 0.76 MEN1 (0.49) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6908869 0.76 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910512 0.74 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910255 0.72 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6908720 0.71 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8

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 300/4885ABCC8 376/4885KCNJ11 2/4885

“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.