SCHEMBL6803530

SCHEMBL6803530

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
PTK2B Q14289 1/20 0.55
ALOX15 P16050 1/20 0.45
ACLY P53396 8/20 0.41
PI4KB Q9UBF8 2/20 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
SCHEMBL6503424 0.83 ALOX15 (0.44) ALOX15ACLY
SCHEMBL6803529 0.82 ALOX15 (0.43) ALDH1A1ALOX15ACLYPI4KB
SCHEMBL6527791 0.82 ALOX15 (0.44) ALOX15ACLY
SCHEMBL7113047 0.79 ALOX15 (0.45) ALOX15ACLY
SCHEMBL7113050 0.79 ALOX15 (0.45) ALOX15ACLY
SCHEMBL6496384 0.78 ALOX15 (0.53) ALOX15ACLY
SCHEMBL6496010 0.77 ACLY (0.63) ALDH1A1ALOX15ACLY
SCHEMBL6502463 0.77 ACLY (0.59) ALDH1A1ACLY
SCHEMBL6502511 0.77 ACLY (0.46) ALOX15ACLY
Hydrochloric Acid SCHEMBL6501856 0.76 ACLY (0.45) ALOX15ACLY

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 ALDH1A1 894/4885MAPK1 1497/4885PTK2B 1179/4885

“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.