SCHEMBL6903922

SCHEMBL6903922

CC1=C(S(C)(=O)=O)C(c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 5/20 0.57
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
GPR174 Q9BXC1 5/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
GSK3A P49840 1/20 0.43
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6910783 0.80 ABCC9 (0.56) FFAR3ALDH1A1KDM4EGPR174HSD17B10
SCHEMBL6905280 0.80 ABCC9 (0.63) ALDH1A1ALOX15MAPK1
SCHEMBL6908888 0.80 ABCC9 (0.58) ALDH1A1KDM4EGPR174
SCHEMBL6911451 0.80 ABCC9 (0.43) FFAR3ALDH1A1KDM4EGPR174HPGD
SCHEMBL6908869 0.76 ABCC9 (0.63) FFAR3ALDH1A1KDM4EGPR174MAPT
SCHEMBL6904767 0.75 ABCC9 (0.72) FFAR3ALDH1A1KDM4EGPR174MEN1
SCHEMBL6910512 0.74 ABCC9 (0.55) ALDH1A1KDM4EGPR174MAPTKMT2A
SCHEMBL6910323 0.74 MEN1 (0.49) FFAR3ALDH1A1KDM4EGPR174MEN1
SCHEMBL6909249 0.74 FFAR3 (0.50) FFAR3ALDH1A1KDM4EGPR174MEN1
SCHEMBL7825583 0.73 FFAR3 (0.49) FFAR3ALDH1A1KDM4EGPR174MEN1

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 15 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
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 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
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO 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
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP 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
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO 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 FFAR3 914/4885ALDH1A1 709/4885KDM4E 576/4885

“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.