SCHEMBL6904767

SCHEMBL6904767

CC1=C(S(C)(=O)=O)C(c2cccc(C#N)c2)C2=C(CCCC2=O)N1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.72
ABCC8 Q09428 5/20 0.72
KCNJ11 Q14654 5/20 0.72
KCNJ8 Q15842 5/20 0.72
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
NOTCH1 P46531 1/20 0.46
FFAR3 O14843 3/20 0.44
GPR174 Q9BXC1 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.41
RECQL P46063 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
SCHEMBL3095468 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL4256078 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL29763183 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910323 0.82 MEN1 (0.49) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6910783 0.80 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL7836158 0.79 ABCC9 (0.84) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6905280 0.77 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6908888 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6911451 0.77 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL6926386 0.77 ABCC9 (0.85) ABCC9ABCC8KCNJ11KCNJ8KDM4E

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 7 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-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

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.