SCHEMBL6725834

SCHEMBL6725834

O=S(=O)(Cc1ccc(C2=C(c3cccc(Br)c3)CCC2)cc1F)Cc1ccc(C2=C(c3cccc(Br)c3)CCC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.42
PTGS2 P35354 10/20 0.42
PTGS1 P23219 4/20 0.42
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HPD P32754 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL6718911 0.90 PTGS2 (0.44) PTGER1PTGS2PTGS1AKR1B1
SCHEMBL6721343 0.89 PTGS2 (0.49) PTGER1PTGS2PTGS1AKR1B1
SCHEMBL6723207 0.87 PTGS2 (0.44) PTGER1PTGS2PTGS1
SCHEMBL6722884 0.87 PTGS2 (0.49) PTGER1PTGS2PTGS1MEN1ALDH1A1
SCHEMBL6722804 0.85 PTGS2 (0.45) PTGER1PTGS2PTGS1
SCHEMBL6725527 0.85 PTGS2 (0.45) PTGER1PTGS2PTGS1
SCHEMBL6721463 0.84 PTGS2 (0.47) PTGER1PTGS2PTGS1
SCHEMBL6718738 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6722719 0.82 PTGS2 (0.44) PTGER1PTGS2PTGS1
SCHEMBL6729503 0.82 PTGS2 (0.51) PTGER1PTGS2PTGS1

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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGER1 18/4885PTGS2 5/4885PTGS1 4/4885

“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.