SCHEMBL6722223

SCHEMBL6722223

N#Cc1cccc(C2=C(c3ccc(CS(=O)(=O)Cc4ccc(C5=C(c6cccc(C#N)c6)CCC5)cc4F)c(F)c3)CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.45
PTGS2 P35354 8/20 0.40
PTGS1 P23219 3/20 0.40
ACLY P53396 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADRA2C P18825 1/20 0.37
KCNK3 O14649 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6723635 0.89 PTGS2 (0.52) PTGER1PTGS2PTGS1HTR2AHTR2C
SCHEMBL6723207 0.84 PTGS2 (0.44) PTGER1PTGS2PTGS1
SCHEMBL6722884 0.83 PTGS2 (0.49) PTGER1PTGS2PTGS1
SCHEMBL6725834 0.81 PTGER1 (0.42) PTGER1PTGS2PTGS1
SCHEMBL6722804 0.81 PTGS2 (0.45) PTGER1PTGS2PTGS1
SCHEMBL6725527 0.81 PTGS2 (0.45) PTGER1PTGS2PTGS1
SCHEMBL6718738 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6722993 0.80 PTGS2 (0.41) PTGER1PTGS2PTGS1
SCHEMBL6722754 0.80 PTGS2 (0.41) PTGER1PTGS2PTGS1
SCHEMBL7048690 0.80 PTGS2 (0.50) PTGER1PTGS2PTGS1ACLYGABRG2

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.