SCHEMBL6803529

SCHEMBL6803529

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NS(=O)(=O)[CH]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ACLY P53396 10/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.37
PI4KB Q9UBF8 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL6503424 0.83 ALOX15 (0.44) ALOX15ACLY
SCHEMBL6803530 0.82 ALDH1A1 (0.55) ALOX15ACLYALDH1A1PI4KB
SCHEMBL6527791 0.82 ALOX15 (0.44) ALOX15ACLY
SCHEMBL7113050 0.81 ALOX15 (0.45) ALOX15ACLYGHSR
SCHEMBL7113047 0.79 ALOX15 (0.45) ALOX15ACLY
SCHEMBL6496384 0.78 ALOX15 (0.53) ALOX15ACLY
SCHEMBL6502463 0.77 ACLY (0.59) ACLYALDH1A1HTTGHSR
SCHEMBL6502511 0.77 ACLY (0.46) ALOX15ACLYGHSR
Hydrochloric Acid SCHEMBL6501856 0.76 ACLY (0.45) ALOX15ACLYGHSR
SCHEMBL6496010 0.76 ACLY (0.63) ALOX15ACLYALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US claimed

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-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B ALOX15 1/4885ACLY 1209/4885ALDH1A1 894/4885

“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.